Basic information
- CAS
26096-30-0- Standard SMILES
OCC1(CO)CN(Cc2ccccc2)C1- InChIKey
AOFFCJVJVZRCBL-UHFFFAOYSA-N- Molecular formula
- C12H17NO2
- Average molar mass
- 207.27 g/mol
- Monoisotopic mass
- 207.12592878
Names & identifiers
- Preferred name
- [1-Benzyl-3-(hydroxymethyl)azetidin-3-YL]methanol
- IUPAC
- [1-benzyl-3-(hydroxymethyl)azetidin-3-yl]methanol
- English name
- (1-benzylazetidine-3,3-diyl)dimethanol
- Molecular formula
- C12H17NO2
- Molecular weight
- 207.27
Names & synonyms
26096-30-0(1-benzylazetidine-3,3-diyl)dimethanol[1-BENZYL-3-(HYDROXYMETHYL)AZETIDIN-3-YL]METHANOL3,3-Azetidinedimethanol, 1-(phenylmethyl)-N-benzyl-3,3-bis(hydroxymethyl)azetidine(1-Benzyl-3-hydroxymethyl-azetidin-3-yl)-methanolSCHEMBL3579844DTXSID809489761-Benzylazetidine-3,3-dimethanolAOFFCJVJVZRCBL-UHFFFAOYSA-NMFCD18909969AKOS026716865
Show more names
3,3-bis(hydroxymethyl)-1-benzylazetidineDA-43002EN300-332202F2147-4108
Database identifiers
- CAS
26096-30-0- PubChem CID
- 20164320
- DTXSID
DTXSID80948976
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 43.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 190
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers4 total
杰达维(上海)医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
砌块化学科技(上海)有限公司021-20432219 13918097649 · [email protected]
南京合巨药业有限公司025-57027686 17372956142 · [email protected]
Related reactions
7 records
Compound notes
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