Basic information
- CAS
117858-82-9- Standard SMILES
CC1(C)O[C@H]2[C@H](CN(Cc3ccccc3)[C@@H]2CO)O1- InChIKey
AUVSIAZDYGROKK-HZSPNIEDSA-N- Molecular formula
- C15H21NO3
- Average molar mass
- 263.33 g/mol
- Monoisotopic mass
- 263.15214353
Names & identifiers
- Preferred name
- ((3aR,4R,6aS)-5-Benzyl-2,2-dimethyltetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-yl)methanol
- IUPAC
- [(3aR,4R,6aS)-5-benzyl-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methanol
- English name
- ((3aR,4R,6aS)-5-Benzyl-2,2-dimethyl-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl)-methanol
- Molecular formula
- C15H21NO3
- Molecular weight
- 263.33
Names & synonyms
117858-82-9((3aR,4R,6aS)-5-Benzyl-2,2-dimethyltetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-yl)methanol((3AR,4R,6AS)-5-BENZYL-2,2-DIMETHYL-TETRAHYDRO-[1,3]DIOXOLO[4,5-C]PYRROL-4-YL)-METHANOL[(3aR,4R,6aS)-5-benzyl-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methanol117858-84-1SCHEMBL9495642DTXSID50555919[(3aR,4R,6aS)-5-Benzyl-2,2-dimethyltetrahydro-2H,3aH-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methanol4H-1,3-Dioxolo[4,5-c]pyrrole-4-methanol, tetrahydro-2,2-dimethyl-5-(phenylmethyl)-, (3aR,4R,6aS)-4H-1,3-Dioxolo[4,5-c]pyrrole-4-methanol,tetrahydro-2,2-dimethyl-5-(phenylmethyl)-,(3aR,4R,6aS)-4H-1,3-Dioxolo[4,5-c]pyrrole-4-methanol, tetrahydro-2,2-dimethyl-5-(phenylmethyl)-, (3aS,4S,6aR)-4H-1,3-Dioxolo[4,5-c]pyrrole-4-Methanol,tetrahydro-2,2-diMethyl-5-(phenylMethyl)-, [3aS-(3aa,4a,6aa)]- (9CI)
Database identifiers
- CAS
117858-82-9- PubChem CID
- 14101295
- DTXSID
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 315
Physicochemical properties
- Boiling point
- 366.798 · 366.798±27.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.138 · 1.138±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 14.471 · 14.471±0.10(predicted)
Chemistry & industry
Suppliers4 total
上海安化生物技术有限公司021-61263375 18168859245
上海三牧化工技术有限公司021-38681880 13817889927 · [email protected]
无锡迈默拓普生物科技有限公司15061806929 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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