Basic information
- CAS
53494-57-8- Standard SMILES
NC[C@H](O)CCl- InChIKey
CYJBWQFWXJKKMS-GSVOUGTGSA-N- Molecular formula
- C3H8ClNO
- Average molar mass
- 109.55 g/mol
- Monoisotopic mass
- 109.0294416
Names & identifiers
- Preferred name
- (S)-1-Amino-3-chloro-2-propanol
- IUPAC
- (2S)-1-amino-3-chloropropan-2-ol
- English name
- (S)-1-Amino-3-chloro-2-propanol
- Molecular formula
- C3H8ClNO
- Molecular weight
- 109.55
Names & synonyms
53494-57-8(2S)-1-amino-3-chloropropan-2-ol(S)-1-Amino-3-chloro-2-propanol(S)-1-Amino-3-chloropropan-2-olEWM6ZIT38N1-Amino-3-chloro-2-propanol, (S)-UNII-EWM6ZIT38N2-Propanol, 1-amino-3-chloro-, (S)-SCHEMBL5217527DTXSID202016981-AMINO-3-CHLORO-2-PROPANOL, (+)-EN300-251809
Show more names
(2S)-3-CHLOROPROPANE-2-HYDROXY-1-AMINE2-PROPANOL, 1-AMINO-3-CHLORO-, (2S)-Q27277390
Database identifiers
- CAS
53494-57-8- PubChem CID
- 148643
- DTXSID
DTXSID20201698- UNII
- EWM6ZIT38N
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 34
Physicochemical properties
- Boiling point
- 240.2 · 240.2±25.0 °C(Predicted)
- Density
- 1.203 · 1.203±0.06 g/cm3(Predicted)
- pka
- 11.7 · 11.70±0.35(Predicted)
- FDA UNII
- 6 ZIT38N · EWM6ZIT38N
Chemistry & industry
Suppliers3 total
天津始加生物医药科技有限公司15022261580 · [email protected]
深圳市恒丰万达医药科技有限公司13986652530 · [email protected]
广州市震霖医药科技有限公司020-18102736 13622807357 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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