Basic information
- CAS
16967-61-6- Standard SMILES
CN1CC2CCC3C2C31- InChIKey
RDPVUZMOVZHRHV-UHFFFAOYSA-N- Molecular formula
- C8H13N
- Average molar mass
- 123.2 g/mol
- Monoisotopic mass
- 123.10479942
Names & identifiers
- Preferred name
- Octahydro-2-methyl-2-azacyclopropa(cd)pentalene
- IUPAC
- 3-methyl-3-azatricyclo[3.3.0.02,8]octane
- English name
- Octahydro-2-methyl-2-azacyclopropa[cd]pentalene
- Molecular formula
- C8H13N
- Molecular weight
- 123.2
Names & synonyms
16967-61-6OCTAHYDRO-2-METHYL-2-AZACYCLOPROPA(CD)PENTALENEOctahydro-2-methyl-2-azacyclopropa[cd]pentaleneRefChem:3667612-Methyloctahydro-2-azacyclopropa[cd]pentalene3-methyl-3-azatricyclo[3.3.0.02,8]octane2-Azacyclopropa[cd]pentalene, octahydro-2-methyl-DTXSID20937662RDPVUZMOVZHRHV-UHFFFAOYSA-N2-Methyloctahydro-2-azacyclopropa[cd]pentalene #2-Azacyclopropa[cd]pentalene, octahydro-2-methyl- (8CI)
Database identifiers
- CAS
16967-61-6- PubChem CID
- 28166
- DTXSID
DTXSID20937662- Nikkaji
- J101.107C
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 155
Physicochemical properties
- Boiling point
- 163.9 · 163.9±8.0 °C(Predicted)
- Density
- 1.071 · 1.071±0.06 g/cm3(Predicted)
- pka
- 10.59 · 10.59±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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