N-heptylacetamide
Basic information
- CAS
14202-55-2- Standard SMILES
CCCCCCCNC(C)=O- InChIKey
OHADWZGOXBOKDQ-UHFFFAOYSA-N- Molecular formula
- C9H19NO
- Average molar mass
- 157.25 g/mol
- Monoisotopic mass
- 157.14666423
Names & identifiers
- Preferred name
- N-heptylacetamide
- IUPAC
- N-heptylacetamide
- English name
- N-Heptylacetamide
- Molecular formula
- C9H19NO
- Molecular weight
- 157.25
Names & synonyms
N-heptylacetamide14202-55-2Acetamide, N-heptyl-NSC406194N-Acetyl-n-heptylaminSCHEMBL1003218SCHEMBL6163193SCHEMBL11649951DTXSID10324269AKOS003871586NSC-406194
Database identifiers
- CAS
14202-55-2- PubChem CID
- 347488
- DTXSID
DTXSID10324269
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
- 11
- Formal charge
- 0
- Complexity
- 102
Physicochemical properties
- Melting point
- 106 · 106-107 °C(Solv: water (7732-18-5))
- Boiling point
- 155 · 155-157 °C(Press: 13 Torr)
- Density
- 0.859 · 0.859±0.06 g/cm3(Predicted)
- pka
- 16.67 · 16.67±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
Related reactions
7 records
Compound notes
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