(1R,4S)-2-Benzyl-2-azabicyclo[2.2.1]heptane-7-carbonitrile
Basic information
- CAS
745836-30-0- Standard SMILES
N#CC1[C@@H]2CC[C@H]1N(Cc1ccccc1)C2- InChIKey
DMTKPZZTUOSAFQ-WYAMFQBQSA-N- Molecular formula
- C14H16N2
- Average molar mass
- 212.29 g/mol
- Monoisotopic mass
- 212.13134852
Names & identifiers
- Preferred name
- (1R,4S)-2-Benzyl-2-azabicyclo[2.2.1]heptane-7-carbonitrile
- IUPAC
- (1R,4S)-2-benzyl-2-azabicyclo[2.2.1]heptane-7-carbonitrile
- English name
- ANTI-7-CYANO-2-BENZYL-2-AZABICYCLO[2.2.1]HEPTANE
- Molecular formula
- C14H16N2
- Molecular weight
- 212.29
Names & synonyms
745836-30-0(1R,4S)-2-Benzyl-2-azabicyclo[2.2.1]heptane-7-carbonitrileanti-7-Cyano-2-benzyl-2-azabicyclo[2.2.1]heptaneDTXSID30719850(1s,4r,7s)-2-benzyl-2-azabicyclo[2.2.1]heptane-7-carbonitrilerel-(1R,4S,7R)-2-(Phenylmethyl)-2-azabicyclo[2.2.1]heptane-7-carbonitrile2-Azabicyclo[2.2.1]heptane-7-carbonitrile, 2-(phenylmethyl)-, (1R,4S,7R)-rel-
Database identifiers
- CAS
745836-30-0- PubChem CID
- 56972808
- DTXSID
DTXSID30719850
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 297
Physicochemical properties
- Boiling point
- 348.429 · 348.429±25.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.141 · 1.141±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- Store at Room Tem.
- pka
- 7.157 · 7.157±0.40(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
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
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…