Basic information
- CAS
76833-35-7- Standard SMILES
N#CC(N)C(O)c1ccccc1- InChIKey
JPDWLEFXSRAWTI-UHFFFAOYSA-N- Molecular formula
- C9H10N2O
- Average molar mass
- 162.19 g/mol
- Monoisotopic mass
- 162.07931295
Overview
structure
Names & identifiers
- Preferred name
- beta-Phenylserinenitrile
- IUPAC
- 2-amino-3-hydroxy-3-phenylpropanenitrile
Names & synonyms
beta-Phenylserinenitrile76833-35-7Benzenepropanenitrile, alpha-amino-beta-hydroxy-RefChem:1194892-amino-3-hydroxy-3-phenylpropanenitrileSCHEMBL7524083DTXSID00998150
Database identifiers
- CAS
76833-35-7- PubChem CID
- 192096
- DTXSID
DTXSID00998150
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 178
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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