(2S)-3-amino-2-methylpropan-1-ol
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Basic information
- CAS
88586-62-3- Standard SMILES
C[C@@H](CN)CO- InChIKey
FVXBTPGZQMNAEZ-BYPYZUCNSA-N- Molecular formula
- C4H11NO
- Average molar mass
- 89.14 g/mol
Names & identifiers
- Preferred name
- (2S)-3-amino-2-methylpropan-1-ol
- IUPAC
- (2S)-3-amino-2-methylpropan-1-ol
- English name
- (2S)-3-Amino-2-methylpropan-1-ol
- Molecular formula
- C4H11NO
- Molecular weight
- 89.14
Names & synonyms
(2S)-3-amino-2-methylpropan-1-ol88586-62-3RefChem:398565696-370-1(S)-3-Amino-2-methylpropan-1-olMFCD192036871-Propanol, 3-amino-2-methyl-, (2S)-(s)-3-amino-2-methyl-1-propanol(S)-3-amino-2-methylpropanolSCHEMBL3166141SCHEMBL3166143FVXBTPGZQMNAEZ-BYPYZUCNSA-N
Show more names
AKOS025393536(2S)-3-amino-2-methyl-propan-1-olSS-4394SY254765CS-0231467EN300-108430F650011
Database identifiers
- CAS
88586-62-3- PubChem CID
- 640990
- EC Number
- 696-370-1
- Nikkaji
- J1.230.442K
Properties
Computed structural propertiesFilling in
- XLogP
- -0.6
- 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
- 30.7
Physicochemical properties
- Boiling point
- 168.3 · 168.3±13.0 °C(Predicted)
- Density
- 0.927 · 0.927±0.06 g/cm3(Predicted)
- pka
- 14.85 · 14.85±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 312 · H312-H302-H332
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312
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
H227 (50%): Combustible liquid [Warning Flammable liquids]
P210, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 4 (50%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H312-H302-H332
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312
Chemistry & industry
Applications
Uses(S)-3-Amino-2-methyl-1-propanol, is a reagent used in the preparation of novel pyrazolo[4,3-e][1,2,4]triazine sulfonamides which are used as carbonic anhydrase inhibitors. Carbonic anhydrase inhibitors are used for their anticancer activity in human breast cancer cell lines.
Related reactions
4 records
Compound notes
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