1-Methyl-7-azabicyclo[4.1.0]heptane
Basic information
- CAS
25022-25-7- Standard SMILES
CC12CCCCC1N2- InChIKey
YARTVCMCRPEIRP-UHFFFAOYSA-N- Molecular formula
- C7H13N
- Average molar mass
- 111.18 g/mol
- Monoisotopic mass
- 111.10479942
Names & identifiers
- Preferred name
- 1-Methyl-7-azabicyclo[4.1.0]heptane
- IUPAC
- 1-methyl-7-azabicyclo[4.1.0]heptane
- English name
- 1-Methyl-7-azabicyclo[4.1.0]heptane
- Molecular formula
- C7H13N
- Molecular weight
- 111.18
Names & synonyms
1-Methyl-7-azabicyclo[4.1.0]heptane7-Azabicyclo[4.1.0]heptane, 1-methyl-25022-25-7SCHEMBL16775276DTXSID70339657YARTVCMCRPEIRP-UHFFFAOYSA-NAKOS0063505011-Methyl-7-azabicyclo[4.1.0]heptane #
Database identifiers
- CAS
25022-25-7- PubChem CID
- 557644
- DTXSID
DTXSID70339657- Nikkaji
- J99.884B
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 21.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 111
Physicochemical properties
- Boiling point
- 150.8 · 150.8±8.0 °C(Predicted)
- Density
- 0.958 · 0.958±0.06 g/cm3(Predicted)
- pka
- 8.42 · 8.42±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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