Basic information
- CAS
40513-33-5- Standard SMILES
CCCCC(N)C(C)=O- InChIKey
WVUZKKYXJLYJEC-UHFFFAOYSA-N- Molecular formula
- C7H15NO
- Average molar mass
- 129.2 g/mol
- Monoisotopic mass
- 129.1153641
Names & identifiers
- Preferred name
- 3-Aminoheptan-2-one
- IUPAC
- 3-aminoheptan-2-one
- English name
- 2-Heptanone, 3-amino- (9CI)
- Molecular formula
- C7H15NO
- Molecular weight
- 129.2
Names & synonyms
3-aminoheptan-2-one40513-33-5DTXSID20328410RefChem:276648DTXCID002795172-Heptanone, 3-amino-2-Heptanone, 3-amino- (9CI)SCHEMBL10171694SBB014561STK691816AKOS005604031DB-270298
Show more names
ST4140237
Database identifiers
- CAS
40513-33-5- PubChem CID
- 409945
- DTXSID
DTXSID20328410
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 90.9
Physicochemical properties
- Boiling point
- 180.9 · 180.9±23.0 °C(Predicted)
- Density
- 0.889 · 0.889±0.06 g/cm3(Predicted)
- pka
- 7.93 · 7.93±0.35(Predicted)
Chemistry & industry
Suppliers1 total
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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