Basic information
- CAS
102450-10-2- Standard SMILES
CCC(CCC(C)C)C(N)=O- InChIKey
MXZJHUFPDPEROD-UHFFFAOYSA-N- Molecular formula
- C9H19NO
- Average molar mass
- 157.25 g/mol
- Monoisotopic mass
- 157.14666423
Overview
structure in first soure
Names & identifiers
- Preferred name
- 2-Ethyl-5-methylhexanamide
- IUPAC
- 2-ethyl-5-methylhexanamide
- English name
- 2-Ethyl-5-methylhexanamide
- Molecular formula
- C9H19NO
- Molecular weight
- 157.25
Names & synonyms
2-Ethyl-5-methylhexanamideRefChem:909805102450-10-2BRN 1754245HEXANAMIDE, 2-ETHYL-5-METHYL-3-02-00-00830 (Beilstein Handbook Reference)SCHEMBL88475952-Ethyl-5-methylhexanimidic acidDTXSID70907577
Database identifiers
- CAS
102450-10-2- PubChem CID
- 59353
- DTXSID
DTXSID70907577
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 121
Physicochemical properties
- Melting point
- 106 · 106-108 °C
- Boiling point
- 289.6 · 289.6±8.0 °C(Predicted)
- Density
- 0.88 · 0.880±0.06 g/cm3(Predicted)
- pka
- 16.69 · 16.69±0.50(Predicted)
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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