Basic information
- CAS
128740-12-5- Standard SMILES
c1ccc(CN2CC3CCNC3C2)cc1- InChIKey
HSZHVFDKBROTBA-UHFFFAOYSA-N- Molecular formula
- C13H18N2
- Average molar mass
- 202.3 g/mol
- Monoisotopic mass
- 202.14699858
Names & identifiers
- Preferred name
- 5-Benzyl-octahydro-pyrrolo[3,4-b]pyrrole
- IUPAC
- 5-benzyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
- English name
- 5-BENZYL-OCTAHYDRO-PYRROLO[3,4-B]PYRROLE
- Molecular formula
- C13H18N2
- Molecular weight
- 202.3
Names & synonyms
5-Benzyl-octahydro-pyrrolo[3,4-b]pyrrole128740-12-55-Benzyloctahydropyrrolo[3,4-b]pyrroleMFCD115011985-benzyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole5-Benzyl-octahydropyrrolo[3,4-b]pyrroleSCHEMBL6212686DTXSID50567794HSZHVFDKBROTBA-UHFFFAOYSA-NAKOS0229199435-Benzyl-octahydro-pyrrolo[34-b]pyrroleAS-36430
Show more names
Pyrrolo[3,4-b]pyrrole, octahydro-5-(phenylmethyl)-
7-Benzyl-2,7-diazabicyclo[3.3.0]octaneDB-113608CS-0130822F048314
Database identifiers
- CAS
128740-12-5- PubChem CID
- 15070004
- DTXSID
DTXSID50567794
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 15.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 211
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers7 total
苏州岚云医药科技有限公司2332782371 · [email protected]
上海拓目化工有限公司13391076197 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
济南光尘医药科技有限公司18563726319 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
武汉万鉴生物科技有限公司13277087647 · [email protected]
Related reactions
9 records
Compound notes
Loading…