n-Hexylbenzamide
Basic information
- CAS
4773-75-5- Standard SMILES
CCCCCCNC(=O)c1ccccc1- InChIKey
MLDQPOXOWLCOEC-UHFFFAOYSA-N- Molecular formula
- C13H19NO
- Average molar mass
- 205.3 g/mol
- Monoisotopic mass
- 205.14666423
Names & identifiers
- Preferred name
- n-Hexylbenzamide
- IUPAC
- N-hexylbenzamide
- English name
- N-Hexylbenzamide
- Molecular formula
- C13H19NO
- Molecular weight
- 205.3
Names & synonyms
n-Hexylbenzamide4773-75-5N-hexyl-benzamideBenzamide, N-hexyl-n-Hexylbenzamide #SCHEMBL1003239SCHEMBL1416822SCHEMBL1416823SCHEMBL3244148SCHEMBL4169513SCHEMBL7585175SCHEMBL8470346
Show more names
DTXSID60341087MLDQPOXOWLCOEC-UHFFFAOYSA-NAKOS003859922
Database identifiers
- CAS
4773-75-5- PubChem CID
- 569898
- DTXSID
DTXSID60341087- Nikkaji
- J117.484C
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 173
Physicochemical properties
- Melting point
- 40 · 40-41 °C
- Boiling point
- 366.1 · 366.1±11.0 °C(Predicted)
- Density
- 0.966 · 0.966±0.06 g/cm3(Predicted)
- pka
- 15.06 · 15.06±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-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-P301+P312-P302+P352-P304+P340-P305+P351+P338
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Related reactions
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Compound notes
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