Basic information
- CAS
4164-94-7- Standard SMILES
CCCCCC(CC)C(N)=O- InChIKey
AOFZLQPFVNKHSR-UHFFFAOYSA-N- Molecular formula
- C9H19NO
- Average molar mass
- 157.25 g/mol
- Monoisotopic mass
- 157.14666423
Names & identifiers
- Preferred name
- Heptanamide, 2-ethyl-
- IUPAC
- 2-ethylheptanamide
Names & synonyms
HEPTANAMIDE, 2-ETHYL-4164-94-7RefChem:10864292-EthylheptanamideNSC 25518BRN 1754246NSC255184-02-00-01029 (Beilstein Handbook Reference)SCHEMBL277392SCHEMBL277393SCHEMBL27744397NSC-25518
Database identifiers
- CAS
4164-94-7- PubChem CID
- 20126
- Nikkaji
- J3.159.764A
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 112
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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