(S)-2-Amino-2-(o-tolyl)ethanol
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Basic information
- CAS
1213107-41-5- Standard SMILES
Cc1ccccc1[C@H](N)CO- InChIKey
WBOFHSAPFDGCGW-SECBINFHSA-N- Molecular formula
- C9H13NO
- Average molar mass
- 151.21 g/mol
- Monoisotopic mass
- 151.09971404
Names & identifiers
- Preferred name
- (S)-2-Amino-2-(o-tolyl)ethanol
- IUPAC
- (2S)-2-amino-2-(2-methylphenyl)ethanol
- English name
- (2S)-2-AMINO-2-(2-METHYLPHENYL)ETHAN-1-OL HCl
- Molecular formula
- C9H13NO
- Molecular weight
- 151.21
Names & synonyms
1213107-41-5(S)-2-Amino-2-(o-tolyl)ethanol(2S)-2-amino-2-(2-methylphenyl)ethan-1-ol(2S)-2-AMINO-2-(2-METHYLPHENYL)ETHANOL(S)-2-amino-2-(o-tolyl)ethan-1-olMFCD09253655SCHEMBL17959290WBOFHSAPFDGCGW-SECBINFHSA-N(2S)-2-amino-2-(o-tolyl)ethanolAKOS006331559AKOS015928131CS-0352956
Show more names
Benzeneethanol, β-amino-2-methyl-, (βS)-(S)-2-Amino-2-(2-Methylphenyl)ethan-1-ol(2S)-2-AMINO-2-(2-METHYLPHENYL)ETHAN-1-OL HCl
N15069EN300-1853085
Database identifiers
- CAS
1213107-41-5- PubChem CID
- 55278561
Properties
Computed structural propertiesFilling in
- XLogP
- 0.5
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 116
Physicochemical properties
- Boiling point
- 300.9 · 300.9±27.0 °C(Predicted)
- Density
- 1.076 · 1.076±0.06 g/cm3(Predicted)
- pka
- 12.52 · 12.52±0.10(Predicted)
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Related reactions
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Compound notes
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