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Home> Encyclopedia > Hot Product Listed I   > Isonipecotamide
39546-32-2 structure

Isonipecotamide

Iupac Name:piperidine-4-carboxamide
CAS No.:39546-32-2
EINECS(EC#): 254-501-6
Molecular Weight:128.175
Molecular Formula:C6H12N2O (isomer)
Names and Identifiers
Synonyms

3,4,5,6-tetrahydro-2H-pyridine-4-carboxamide 39546-32-2 44411-EP2295429A1 44411-EP2311814A1 4-aminocarbonylpiperidine 4-carbamoylpiperidine 4-Piperdinecarboxamide 4-piperidine carboxamide 4-piperidinecarboxamide 4-piperidine-carboxamide 4-piperidinecarboxamide, 97% 58506-EP2305682A1 58506-EP2308879A1 A6617 AB1001923 AC1L1GOE AC1Q4ZJ7 AC1Q5J14 AC-539 ACMC-20aipw ACN-S002671 ACT04822 AJ-46012 AK-25908 AKOS000119354 ALBB-025738 AM20100043 AN-1667 ANW-75186 BB 0256894 BC220411 BCP18799 BG01497105 BP-11768 BR-25908 CH0071 CI-119 CS-W013464 CZE2810T4X D0H4MB DB-013239 DPBWFNDFMCCGGJ-UHFFFAOYSA-N DTXSID7068182 EINECS 254-501-6 F2190-0334 FC1306 FS000026 FT-0627432 hexahydroisonicotinamide I02-0085 I0255 I05-0208 I360 iso nipecotamide isonipecotamide iso-nipecotamide Isonipecotamide, 98% isonipecotic acid amide isonipecotinamide ISONIPECTOAMIDE JSP006864 KB-52414 KS-0000034I KSC179Q0D LS20797 MCULE-8840746533 mfcd00038012 MOLPORT-000-150-418 NSC 82318 nsc82318 nsc-82318 PB25917 piperidin-4-carboxamid piperidin-4-carboxylic amide piperidine-4-carboxamide Piperidine-4-Carboxiamide piperidine-4-carboxylic acid amide piperidine-4-carboxylicacidamide PubChem9754 Q-1163 RP19806 SBB004237 SC-04160 SCHEMBL12461666 SCHEMBL1298 ST2413687 ST45028848 STL183252 STR01101 TC-063433 TL8002858 TS-01685 TX-017920 UNII-CZE2810T4X W-111734 ZINC3860530

Inchi
InChI=1S/C6H12N2O/c7-6(9)5-1-3-8-4-2-5/h5,8H,1-4H2,(H2,7,9)
InChkey
DPBWFNDFMCCGGJ-UHFFFAOYSA-N
Canonical Smiles
C1CNCCC1C(=O)N
Isomers Smiles
C1CNCCC1C(=O)N
Properties
Appearance
White to light yellow crystalline powder
Density
1.06
Melting Point
146-150℃
Boiling Point
311.7 ºC at 760 mmHg
Flash Point
142.3 ºC
Stability
Stable at room temperature in closed containers under normal storage and handling conditions.
HS Code
2933399090
Storage temp
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Safety and Handling
Hazard Codes
Xi
Risk Statements
R36/37/38
Safety Statements
S26;S37/39
Safety

Safety Information of Isonipecotamide (CAS NO.39546-32-2):
Hazard Codes: IrritantXi
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39-36 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing. 
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 3
Hazard Note: Irritant

Specification

  Isonipecotamide (CAS NO.39546-32-2), its Synonyms are 4-Piperidinecarboxamide ; Hexahydroisonicotinamide ; Piperidine-4-carboxamide .

MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

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

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

Response

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

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

P332+P313 If skin irritation occurs: Get medical advice/attention.

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

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

P337+P313 If eye irritation persists: Get medical advice/attention.

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

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

Storage

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

NMR Spectrum
Precursor and Product
Computational chemical data
  • Molecular Weight:128.175g/mol
  • Molecular Formula:C6H12N2O
  • Compound Is Canonicalized:True
  • XLogP3-AA:_1.4
  • Exact Mass:128.095
  • Monoisotopic Mass:128.095
  • Complexity:108
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:55.1A^2
  • Heavy Atom Count:9
  • 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: AAADccBjIAAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAAAAAAAHgAQAAAADQDBgAQAAALAAAAI AAEQEAAAAAAAAAAAAIEIAAAAABIAgAAEAAAAEACAAAAUAAAKAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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