1-Methylpiperidine-4-carbonyl chloride
Basic information
- CAS
41776-24-3- Standard SMILES
CN1CCC(C(=O)Cl)CC1- InChIKey
MIVZCINZDWIBJS-UHFFFAOYSA-N- Molecular formula
- C7H12ClNO
- Average molar mass
- 161.63 g/mol
- Monoisotopic mass
- 161.0607417
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 Ų
- 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 information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
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
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
22 records
Compound notes
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