(2S,3R)-3-aminobutan-2-ol
Basic information
- CAS
215672-64-3- Standard SMILES
C[C@H](O)[C@@H](C)N- InChIKey
FERWBXLFSBWTDE-DMTCNVIQSA-N- Molecular formula
- C4H11NO
- Average molar mass
- 89.14 g/mol
- Monoisotopic mass
- 89.08406397
Names & identifiers
- Preferred name
- (2S,3R)-3-aminobutan-2-ol
- IUPAC
- (2S,3R)-3-aminobutan-2-ol
- English name
- (2S,3R)-3-Aminobutan-2-ol
- Molecular formula
- C4H11NO
- Molecular weight
- 89.14
Names & synonyms
(2S,3R)-3-aminobutan-2-ol215672-64-3RefChem:398778968-782-440285-24-3V36SJQ4UUXerythro-3-Amino-2-butanolSCHEMBL1829223-Amino-2-butanol, erythro-SCHEMBL30613700rel-(2R,3S)-3-Amino-2-butanolAKOS006341693
Show more names
rel-(2R,3S)-3-aminobutan-2-ol
AT432822-Butanol, 3-amino-, (2R,3S)-rel-EN300-7572408
Database identifiers
- CAS
215672-64-3、40285-24-3- PubChem CID
- 640996
- UNII
- V36SJQ4UUX
- EC Number
- 968-782-4
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 38.5
Physicochemical properties
- Melting point
- 37 °C · 37 °C(Solv: benzene (71-43-2))
- Boiling point
- 64 · 64-65 °C(Press: 10 Torr)
- Density
- 0.923 · 0.923±0.06 g/cm3(Predicted)
- pka
- 12.95 · 12.95±0.45(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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