Basic information
- CAS
944768-08-5- Standard SMILES
CCC[C@H](N)[C@H](O)C(=O)NC1CC1- InChIKey
DRNGSSWBFKDSEE-YUMQZZPRSA-N- Molecular formula
- C9H18N2O2
- Average molar mass
- 186.25 g/mol
- Monoisotopic mass
- 186.13682782
Names & identifiers
- Preferred name
- (2S,3S)-3-Amino-N-cyclopropyl-2-hydroxyhexanamide
- IUPAC
- (2S,3S)-3-amino-N-cyclopropyl-2-hydroxyhexanamide
- English name
- (2S,3S)-3-Amino-N-cyclopropyl-2-hydroxyhexanamide
- Molecular formula
- C9H18N2O2
- Molecular weight
- 186.25
Names & synonyms
(2S,3S)-3-Amino-N-cyclopropyl-2-hydroxyhexanamide944768-08-5SCHEMBL329101DTXSID20587489DRNGSSWBFKDSEE-YUMQZZPRSA-NHexanamide, 3-amino-N-cyclopropyl-2-hydroxy-, (2S,3S)-
Database identifiers
- CAS
944768-08-5、950483-66-6- PubChem CID
- 16739337
- DTXSID
DTXSID20587489- EC Number
- 619-043-7
- Nikkaji
- J2.917.568C
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 180
Physicochemical properties
- Boiling point
- 420.7 · 420.7±38.0 °C(Predicted)
- Density
- 1.11 · 1.11±0.1 g/cm3(Predicted)
- pka
- 11.06 · 11.06±0.45(Predicted)
Chemistry & industry
Suppliers2 total
上海智乾生物科技有限公司[email protected]
济南尚博生物科技有限公司+8615866703830 · [email protected]
Related reactions
14 records
Compound notes
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