N-benzyl-4-chlorobutanamide
Basic information
- CAS
22813-61-2- Standard SMILES
O=C(CCCCl)NCc1ccccc1- InChIKey
XAHRBZIFIFYQDA-UHFFFAOYSA-N- Molecular formula
- C11H14ClNO
- Average molar mass
- 211.69 g/mol
- Monoisotopic mass
- 211.0763918
Overview
See also: N-Benzyl-4-chlorobutyramide (annotation moved to).
Names & identifiers
- Preferred name
- N-benzyl-4-chlorobutanamide
- IUPAC
- N-benzyl-4-chlorobutanamide
- English name
- N-Benzyl-4-chlorobutyraMide, 97%
- Molecular formula
- C11H14ClNO
- Molecular weight
- 211.69
Names & synonyms
N-benzyl-4-chlorobutanamide22813-61-2Butanamide, 4-chloro-N-(phenylmethyl)-SCHEMBL6398017DTXSID20399701N-Benzyl-4-chlorobutyraMide, 97%AKOS000154625
Database identifiers
- CAS
22813-61-2- PubChem CID
- 4132928
- DTXSID
DTXSID20399701- Nikkaji
- J926.518J
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- Melting point
- 68 °C · 68 °C
- Boiling point
- 404.2 · 404.2±38.0 °C(Predicted)
- Density
- 1.119 · 1.119±0.06 g/cm3(Predicted)
- pka
- 16.06 · 16.06±0.46(Predicted)
- Symbol(GHS)
- 5 · GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H315-H335-H318
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
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,GHS06
- Hazard statements
- H301-H315-H335-H318
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
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Related reactions
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Compound notes
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