4-(1-Amino-2-hydroxyethyl)phenol
Basic information
- CAS
497165-98-7- Standard SMILES
NC(CO)c1ccc(O)cc1- InChIKey
WKMNUYYJVXICFJ-UHFFFAOYSA-N- Molecular formula
- C8H11NO2
- Average molar mass
- 153.18 g/mol
- Monoisotopic mass
- 153.07897859
Names & identifiers
- Preferred name
- 4-(1-Amino-2-hydroxyethyl)phenol
- IUPAC
- 4-(1-amino-2-hydroxyethyl)phenol
- English name
- Benzeneethanol, beta-amino-4-hydroxy- (9CI)
- Molecular formula
- C8H11NO2
- Molecular weight
- 153.18
Names & synonyms
4-(1-amino-2-hydroxyethyl)phenol497165-98-7SCHEMBL3041323DTXSID806035584-(1-amino-2-hydroxy-ethyl)phenolAKOS010284860SB45787EN300-302104F16884Benzeneethanol, β-amino-4-hydroxy-Benzeneethanol, beta-amino-4-hydroxy- (9CI)
Database identifiers
- CAS
497165-98-7- PubChem CID
- 20206326
- DTXSID
DTXSID80603558- Nikkaji
- J1.806.975J
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 111
Physicochemical properties
- Boiling point
- 360.7 · 360.7±27.0 °C(Predicted)
- Density
- 1.249 · 1.249±0.06 g/cm3(Predicted)
- pka
- 9.32 · 9.32±0.26(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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