1-Methylpiperidine-4-carbonyl chloride

HCID 436503CAS 41776-24-3

Substructure search Find similar structures

Basic information

Standard SMILES: CN1CCC(C(=O)Cl)CC1
InChIKey: MIVZCINZDWIBJS-UHFFFAOYSA-N
Molecular formula: C7H12ClNO
Average molar mass: 161.63 g/mol
Monoisotopic mass: 161.06074168

Names & identifiers

Preferred name: 1-Methylpiperidine-4-carbonyl chloride
IUPAC: 1-methylpiperidine-4-carbonyl chloride
English name: 4-Piperidinecarbonyl chloride, 1-methyl- (9CI)
Molecular formula: C7H12ClNO
Molecular weight: 161.63

Names & synonyms

1-methylpiperidine-4-carbonyl chloride41776-24-3MFCD131737354-Piperidinecarbonyl chloride, 1-methyl- (9CI)SCHEMBL140205DTXSID70331232MIVZCINZDWIBJS-UHFFFAOYSA-NALBB-0288201-methylpiperidine-4-carbonylchlorideAKOS025141867SB430141-methyl-piperidine-4-carbonyl chloride

Show more names

1-Methylisonipecotoyl chloride1-methyl-4-piperidinecarbonyl chloride4-Piperidinecarbonyl chloride, 1-methyl-

DA-291661-methylpiperidine-4-carboxylic acid chloride

Database identifiers

CAS: 41776-24-3
PubChem CID: 436503
DTXSID: DTXSID70331232

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 20.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 130

Physicochemical properties

Melting point: 150 °C · 150 °C
Boiling point: 193.1 · 193.1±33.0 °C(Predicted)
Density: 1.125 · 1.125±0.06 g/cm3(Predicted)
pka: 8.23 · 8.23±0.10(Predicted)
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H312-H314-H332
Precautionary statements: 260 · P260-P261-P264-P270-P271-P280-P301+P312-P301+P330+P331-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P310-P312-P321-P322-P330-P363-P405-P501

Safety & regulation

Safety data

Signal word: Danger
Symbol(GHS): GHS05,GHS07
Hazard statements: H302-H312-H314-H332
Precautionary statements: P260-P261-P264-P270-P271-P280-P301+P312-P301+P330+P331-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P310-P312-P321-P322-P330-P363-P405-P501