CAS 62718-28-9 1-Methylpiperidine-4-carboxamide (HCID 339011)

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Basic information

CAS: 62718-28-9
Standard SMILES: CN1CCC(C(N)=O)CC1
InChIKey: BTVJTKWOCSGJDQ-UHFFFAOYSA-N
Molecular formula: C7H14N2O
Average molar mass: 142.2 g/mol
Monoisotopic mass: 142.11061307

Names & identifiers

Preferred name: 1-Methylpiperidine-4-carboxamide
IUPAC: 1-methylpiperidine-4-carboxamide
English name: 1-METHYLPIPERIDINE-4-CARBOXAMIDE
Molecular formula: C7H14N2O
Molecular weight: 142.2

Names & synonyms

1-methylpiperidine-4-carboxamide62718-28-9DTXSID20320737RefChem:232087DTXCID402718584-PIPERIDINECARBOXAMIDE, 1-METHYL-MFCD066584881-methylisonipecotamideSCHEMBL274448SCHEMBL509608SCHEMBL2782240SCHEMBL11039671

Show more names

N-METHYLPIPERIDINE-4-CARBOXAMIDE

SCHEMBL110396741-methyl-4-PiperidinecarboxamideALBB-014769AB1540SBB056065AKOS005174646AB258154-Piperidinecarboxamide,1-methyl-(9CI)

Database identifiers

CAS: 62718-28-9
PubChem CID: 339011
DTXSID: DTXSID20320737

Properties

Computed structural properties

XLogP: -0.4
Topological polar surface area: 46.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 128

Physicochemical properties

Melting point: 200 · 200-201 °C (sublm)(Solvent: Acetone)
Boiling point: 286.069 · 286.069±29.00 °C(Press: 760.00 Torr)(predicted)
Density: 1.046 · 1.046±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 16.432 · 16.432±0.20(predicted)
Appearance: White to off-white Solid
InChI: InChI=1S/C7H14N2O/c1-9-4-2-6(3-5-9)7(8)10/h6H,2-5H2,1H3,(H2,8,10)
InChIKey: BTVJTKWOCSGJDQ-UHFFFAOYSA-N
SMILES: N1(C)CCC(C(N)=O)CC1
Symbol(GHS): 7 · GHS07,GHS08
Signal word: Warning
Hazard statements: 315 · H315-H319-H361
Precautionary statements: 501 · P501-P202-P201-P264-P280-P302+P352-P308+P313-P337+P313-P305+P351+P338-P362+P364-P332+P313-P405
HazardClass: IRRITANT

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07,GHS08
hazard_class: IRRITANT
Hazard statements: H315-H319-H361
Precautionary statements: P501-P202-P201-P264-P280-P302+P352-P308+P313-P337+P313-P305+P351+P338-P362+P364-P332+P313-P405