Basic information
- Standard SMILES
CC(CO)(CO)NCc1ccccc1- InChIKey
KKZVNNFFJBMXGC-UHFFFAOYSA-N- Molecular formula
- C11H17NO2
- Average molar mass
- 195.26 g/mol
Names & identifiers
- Preferred name
- 2-(Benzylamino)-2-methylpropane-1,3-diol
- IUPAC
- 2-(benzylamino)-2-methylpropane-1,3-diol
Names & synonyms
2-(benzylamino)-2-methylpropane-1,3-diol91340-32-8SCHEMBL6132599CHEMBL1190887KKZVNNFFJBMXGC-UHFFFAOYSA-NAKOS0172686232-benzylamino-2-methyl-1,3-propanediolEN300-250387
Database identifiers
- PubChem CID
- 198739
- ChEMBL
CHEMBL1190887- Nikkaji
- J423.632G
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 52.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 151
Related reactions
3 records
Compound notes
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