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Home> Encyclopedia > Hot Product Listed 1   > 1-Methylpiperazine
109-01-3 structure

1-Methylpiperazine

Iupac Name:1-methylpiperazine
CAS No.:109-01-3
EINECS(EC#): 203-639-5
Molecular Weight:100.165
Molecular Formula:C5H12N2 (isomer)
Names and Identifiers
Synonyms

1- methylpiperazine 126070-EP2284166A1 126070-EP2295436A1 17250-EP2269993A1 17250-EP2270001A1 17250-EP2270002A1 17250-EP2270008A1 17250-EP2272841A1 17250-EP2275413A1 17250-EP2277876A1 17250-EP2280006A1 17250-EP2281563A1 17250-EP2281813A1 17250-EP2284157A1 17250-EP2284174A1 17250-EP2287156A1 17250-EP2289893A1 17250-EP2292596A2 17250-EP2292614A1 17250-EP2292617A1 17250-EP2292624A1 17250-EP2295432A1 17250-EP2295433A2 17250-EP2295438A1 17250-EP2301627A1 17250-EP2301928A1 17250-EP2305250A1 17250-EP2305651A1 17250-EP2308854A1 17250-EP2311808A1 17250-EP2311824A1 17250-EP2311829A1 17250-EP2314295A1 17250-EP2314586A1 1-methyl piperazine 1-methylpiperazin 1-methyl-piperazine 1-methylpiperazine, 99% 1-methylpiperizine 1-methyl-piperizine 1-methylpiprazine 1-methylpyperazine 1-methypiperazine 27741-EP2270000A1 27741-EP2275414A1 27741-EP2289894A2 27741-EP2292586A2 27741-EP2295411A1 27741-EP2298743A1 27741-EP2298767A1 27741-EP2301933A1 27741-EP2301937A1 27741-EP2308812A2 27741-EP2308867A2 27741-EP2308870A2 27741-EP2311808A1 27741-EP2311818A1 27741-EP2311827A1 27741-EP2311829A1 27741-EP2314587A1 32969-EP2270001A1 32969-EP2275102A1 32969-EP2298743A1 32969-EP2298770A1 32969-EP2301933A1 32969-EP2305250A1 32969-EP2311827A1 44999-EP2270000A1 44999-EP2270001A1 44999-EP2292619A1 44999-EP2305250A1 44999-EP2305682A1 44999-EP2308879A1 44999-EP2311818A1 4-methyl piperazine 4-methylpiperazin 4-methylpiperazine 4-methyl-piperazine 4-methylpiperizine 4-n-methyl-piperazin 4-n-methyl-piperazine 80119-EP2270001A1 80119-EP2272517A1 80119-EP2292624A1 80119-EP2301928A1 80119-EP2305250A1 A801955 AC1L1ED3 AC1Q3ZYW ACMC-20991Y ACT02174 ai3-25360 AJ-72621 AK110412 AKOS000119079 AN-1930 AZ0001-0099 B92I95EL9Q BB_SC-6441 BBL027550 BP-21287 brn 0102724 ccris 6686 CHEMBL1011 cyclizine impurity a, european pharmacopoeia (ep) reference standard cyclizine related compound a, united states pharmacopeia (usp) reference standard DB-016176 DTXSID4021898 einecs 203-639-5 F2190-0341 FT-0600012 I13-0021 K-0623 KB-12935 KB-204292 KS-000002PH KSC491G0J LS-112841 LS20947 M0553 MCULE-5570228782 methyl piperazine methylpiperazine methyl-piperazine methylpiperazine-n mfcd00005966 MOLPORT-000-157-456 monomethylpiperazine n-(methyl)piperazine n-mehylpiperazine n-methyl piperazin n-methyl piperazine n-methyl piperizine n-methyl piperzine n-methylpiperazin n'-methylpiperazine n-methylpiperazine n-methyl-piperazine n-methylpiperizine n-methyl-piperizine n-methylpiperzine n-methylpiprazine n-methylpyperazine n-methypiperazine n-rnethylpiperazine nsc 30195 nsc30195 nsc-30195 nsc30675 nsc-30675 piperazine, 1-methyl- piperazine, methyl- PS-9321 PVOAHINGSUIXLS-UHFFFAOYSA-N Q-201482 RL00388 RP18718 RTR-002020 SBB027304 SC-00315 SCHEMBL1363 ST2403474 ST45255345 STK506426 STR00448 TL8000289 TR-002020 TRA0056471 TX-017069 unii-b92i95el9q wln: t6m dntj d1 Z57834041 ZINC19230108

Inchi
InChI=1S/C5H12N2/c1-7-4-2-6-3-5-7/h6H,2-5H2,1H3
InChkey
PVOAHINGSUIXLS-UHFFFAOYSA-N
Canonical Smiles
CN1CCNCC1
Properties
Appearance
Clear, Colourless liquid
Density
0.903
Melting Point
-6℃
Boiling Point
138℃
Vapour
6.86mmHg at 25°C
Refractive Index
1.4645-1.4665
Flash Point
42℃
Solubility
soluble
Color/Form
Clear
Stability
Stable under normal temperatures and pressures.
HS Code
29335995
Storage temp
Store under Nitrogen
Safety and Handling
Hazard Codes
C
Risk Statements
R10;R21;R34
Safety Statements
S16;S26;S36/37/39;S45
HazardClass
3
Safety
Hazard Codes:T,F,C,Xi
Risk Statements:10-21-23-34-36/37/38
10:Flammable
21:Harmful in contact with skin
23:Toxic by inhalation
34:Causes burns
36/37/38:Irritating to eyes, respiratory system and skin
Safety Statements:16-26-36/37/39-45-36
16:Keep away from sources of ignition - No smoking
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36/37/39:Wear suitable protective clothing, gloves and eye/face protection
45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
36:Wear suitable protective clothing
RIDADR:UN 2734 8/PG 2
WGK Germany:2
HazardClass:3
PackingGroup:III
Hazard Note:Flammable/Toxic/Corrosive/Store under nitrogen
HS Code:29335995
Toxicity

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TM1225000
CHEMICAL NAME :
Piperazine, 1-methyl-
CAS REGISTRY NUMBER :
109-01-3
BEILSTEIN REFERENCE NO. :
0102724
LAST UPDATED :
199701
DATA ITEMS CITED :
10
MOLECULAR FORMULA :
C5-H12-N2
MOLECULAR WEIGHT :
100.19
WISWESSER LINE NOTATION :
T6M DNTJ D1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Open irritation test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 23,95,1962
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,863,1986
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,863,1986 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2830 uL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 23,95,1962
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1450 mg/kg
TOXIC EFFECTS :
Behavioral - excitement Behavioral - changes in motor activity (specific assay) Behavioral - muscle contraction or spasticity
REFERENCE :
TPKVAL Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. (Izdatel'stvo Meditsina, Moscow, USSR) No.1- 1961- Volume(issue)/page/year: 15,116,1979
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2740 mg/m3/2H
TOXIC EFFECTS :
Behavioral - excitement Behavioral - muscle contraction or spasticity Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
TPKVAL Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. (Izdatel'stvo Meditsina, Moscow, USSR) No.1- 1961- Volume(issue)/page/year: 11,123,1969
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
150 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD691-490
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
1490 uL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 23,95,1962 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
15040 mg/kg/32D-I
TOXIC EFFECTS :
Related to Chronic Data - death
REFERENCE :
TPKVAL Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. (Izdatel'stvo Meditsina, Moscow, USSR) No.1- 1961- Volume(issue)/page/year: 11,123,1969
PackingGroup
III
Sensitive
Hygroscopic
Transport
UN 2734
Specification

clear liquid
Safety Statements:16-26-36/37/39-45-36
16:Keep away from sources of ignition - No smoking
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36/37/39:Wear suitable protective clothing, gloves and eye/face protection
45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
36:Wear suitable protective clothing
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Flammable liquids, Category 3

Skin corrosion, Category 1B

Skin sensitization, Category 1B

Serious eye damage, Category 1

Acute toxicity - Inhalation, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H226 Flammable liquid and vapour

H314 Causes severe skin burns and eye damage

H317 May cause an allergic skin reaction

H332 Harmful if inhaled

Precautionary statement(s)
Prevention

P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.

P233 Keep container tightly closed.

P240 Ground and bond container and receiving equipment.

P241 Use explosion-proof [electrical/ventilating/lighting/...] equipment.

P242 Use non-sparking tools.

P243 Take action to prevent static discharges.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

P264 Wash ... thoroughly after handling.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P272 Contaminated work clothing should not be allowed out of the workplace.

P271 Use only outdoors or in a well-ventilated area.

Response

P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

P370+P378 In case of fire: Use ... to extinguish.

P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

P363 Wash contaminated clothing before reuse.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P310 Immediately call a POISON CENTER/doctor/\u2026

P321 Specific treatment (see ... on this label).

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P333+P313 If skin irritation or rash occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

Storage

P403+P235 Store in a well-ventilated place. Keep cool.

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Precursor and Product
Computational chemical data
  • Molecular Weight:100.165g/mol
  • Molecular Formula:C5H12N2
  • Compound Is Canonicalized:True
  • Exact Mass:100.1
  • Monoisotopic Mass:100.1
  • Complexity:48
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:15.3A^2
  • Heavy Atom Count:7
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBjAAAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAAAAAAAHAAQAAAAAADBAAQCAAPAAAAA AAAAAAAAAAAAAAAAAIAIAAAAQAAAAAAQAAAAEACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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