N-(sec-butyl)benzamide
Basic information
- CAS
879-71-0- Standard SMILES
CCC(C)NC(=O)c1ccccc1- InChIKey
WSCVMXQGRHTYEP-UHFFFAOYSA-N- Molecular formula
- C11H15NO
- Average molar mass
- 177.24 g/mol
- Monoisotopic mass
- 177.1153641
Overview
See also: N-Sec-butylbenzamide (annotation moved to).
Names & identifiers
- Preferred name
- N-(sec-butyl)benzamide
- IUPAC
- N-butan-2-ylbenzamide
- English name
- Benzamide, N-(1-methylpropyl)-
- Molecular formula
- C11H15NO
- Molecular weight
- 177.24
Names & synonyms
N-(sec-butyl)benzamide879-71-0N-SEC-BUTYL BENZAMIDEBenzamide, N-(1-methylpropyl)-N-(methylpropyl)benzamideN-(butan-2-yl)benzamideNSC6877N-s-butyl benzamideBenzamide, N-sec-butyl-SCHEMBL799431SCHEMBL5612318SCHEMBL6601283
Show more names
N-2-butylbenzamideN-SEC-BUTYL-BENZAMIDEN-(1-Methylpropyl)benzamide
DTXSID30278275NSC-6877SBB058214AKOS002984224AKOS016194682DS-006501ST50448494
Database identifiers
- CAS
879-71-0- PubChem CID
- 221808
- DTXSID
DTXSID30278275- Nikkaji
- J593.302A
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 161
Physicochemical properties
- Melting point
- 88 · 88-89 °C
- Boiling point
- 333 · 333.0±11.0 °C(Predicted)
- Density
- 0.986 · 0.986±0.06 g/cm3(Predicted)
- pka
- 15.02 · 15.02±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P302+P352-P304+P340-P305+P351+P338
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
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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