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Home> Hot Product Listed Q   > QLGNNICBQYXALV-UHFFFAOYSA-N
180605-36-1 structure

QLGNNICBQYXALV-UHFFFAOYSA-N

Iupac Name:2-(4-methylpiperazin-1-yl)aniline
CAS No.:180605-36-1
Molecular Weight:191.278
Molecular Formula:C28H32N2O2 (isomer)
Names and Identifiers
Synonyms

1-acetyl-4-(9-ethyl-3-carbazolyl)thiosemicarbazide 2-acetyl-n-(9-ethyl-9h-carbazol-3-yl)hydrazinecarbothioamide SCHEMBL10659152

Inchi
InChI=1S/C11H17N3/c1-13-6-8-14(9-7-13)11-5-3-2-4-10(11)12/h2-5H,6-9,12H2,1H3
InChkey
INWHDRNGZMHXEZ-UHFFFAOYSA-N
Canonical Smiles
CN1CCN(CC1)C2=CC=CC=C2N
Properties
Melting Point
101-102℃
Vapour
0.000302mmHg at 25°C
Safety and Handling
Risk Statements
R20/21/22;R34
Safety Statements
S22;S26;S36/37/39;S45
HazardClass
IRRITANT
PackingGroup
III
Transport
UN 3263 8/PG III
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Acute toxicity - Dermal, Category 4

Skin corrosion, Category 1C

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)

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled

H314 Causes severe skin burns and eye damage

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

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

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

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

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

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

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

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

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

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

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

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

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

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

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:191.278g/mol
  • Molecular Formula:C28H32N2O2
  • Compound Is Canonicalized:True
  • Exact Mass:191.142
  • Monoisotopic Mass:191.142
  • Complexity:175
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:32.5A^2
  • Heavy Atom Count:14
  • 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: AAADceBzAAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABAAAAHAAQAAAACAjBEAQywINAAACA ACRCQACCAAAhAgAIiAAIdIgIYCLAkZGUIAhgkADIyAcQAAAAAAAAAAAAACAAAAAAAAAAQAAAAAAA AA==
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