cis-1-Benzylhexahydropyrrolo[3,4-b]pyrrole
Basic information
- CAS
370879-92-8- Standard SMILES
c1ccc(CN2CC[C@@H]3CNC[C@@H]32)cc1- InChIKey
LODPYENASSOOBD-OLZOCXBDSA-N- Molecular formula
- C13H18N2
- Average molar mass
- 202.3 g/mol
- Monoisotopic mass
- 202.14699858
Names & identifiers
- Preferred name
- cis-1-Benzylhexahydropyrrolo[3,4-b]pyrrole
- IUPAC
- (3aR,6aR)-1-benzyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
- English name
- cis-1-Benzylhexahydropyrrolo[3,4-b]pyrrole
- Molecular formula
- C13H18N2
- Molecular weight
- 202.3
Names & synonyms
370879-92-8cis-1-Benzylhexahydropyrrolo[3,4-b]pyrrole(3aR,6aR)-1-benzyloctahydropyrrolo[3,4-b]pyrrole(3aR,6aR)-1-benzyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrroleMFCD213644161426670-68-9Pyrrolo[3,4-b]pyrrole, octahydro-1-(phenylmethyl)-, (3aR,6aR)-rel-rel-(3aR,6aR)-1-Benzyloctahydropyrrolo[3,4-b]pyrroleSCHEMBL10078725LODPYENASSOOBD-OLZOCXBDSA-NDTXSID901179988AKOS022183519
Show more names
-rel-1-Benzyloctahydropyrrolo[3,4-b]pyrrolecis-1-Benzyl-octahydro-pyrrolo[3,4-b]pyrrole(3aR,6aR)-rel-1-Benzyloctahydropyrrolo[3,4-b]pyrrole
SY003016cis-1-Benzyloctahydropyrrolo[3,4-b]pyrroleDB-369926CS-0130634EN300-257950rac-(3aR,6aR)-1-benzyl-octahydropyrrolo[2,3-c]pyrrolerel-(3aR,6aR)-Octahydro-1-(phenylmethyl)pyrrolo[3,4-b]pyrrole
Database identifiers
- CAS
370879-92-8- PubChem CID
- 40154005
- DTXSID
DTXSID901179988- EC Number
- 196-624-7
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
Physicochemical properties
- Boiling point
- 304.4 · 304.4±17.0 °C(Predicted)
- Density
- 1.074 · 1.074±0.06 g/cm3(Predicted)
- pka
- 10.8 · 10.80±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
4 records
Compound notes
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