Basic information
- CAS
17783-48-1- Standard SMILES
CN1C2CCC1CN(Cc1ccccc1)C2- InChIKey
GQIXVQRBAFSAQT-UHFFFAOYSA-N- Molecular formula
- C14H20N2
- Average molar mass
- 216.32 g/mol
- Monoisotopic mass
- 216.16264865
Names & identifiers
- Preferred name
- 3-Benzyl-8-methyl-3,8-diazabicyclo[3.2.1]octane
- IUPAC
- 3-benzyl-8-methyl-3,8-diazabicyclo[3.2.1]octane
- English name
- 3-Benzyl-8-Methyl-3,8-diazabicyclo[3.2.1]octane
- Molecular formula
- C14H20N2
- Molecular weight
- 216.32
Names & synonyms
3-benzyl-8-methyl-3,8-diazabicyclo[3.2.1]octane17783-48-1MFCD27923786SCHEMBL10224838-Methyl-3-(phenylmethyl)-3,8-diazabicyclo[3.2.1]octaneGQIXVQRBAFSAQT-UHFFFAOYSA-NDTXSID301203903AKOS022178437SY037204CS-04483913benzyl-8-methyl-3,8-diazabicyclo[3.2.1]octane3-benzyl-8-methyl-3,8-diazabicyclo-[3.2.1]octane
Show more names
3,8-Diazabicyclo[3.2.1]octane, 8-methyl-3-(phenylmethyl)-
Database identifiers
- CAS
17783-48-1- PubChem CID
- 422671
- DTXSID
DTXSID301203903
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 221
Physicochemical properties
- Boiling point
- 88 · 88-90 °C(Press: 0.3 Torr)
- Density
- 1.063 · 1.063±0.06 g/cm3(Predicted)
- pka
- 8.17 · 8.17±0.20(Predicted)
Chemistry & industry
Suppliers4 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
成都麦卡希化工有限公司028-85632863 18108198598 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
Related reactions
6 records
Compound notes
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