Basic information
- CAS
59175-18-7- Standard SMILES
C=CCC1(c2ccccc2)N=C1C- InChIKey
VYBNXSBQBJMIOR-UHFFFAOYSA-N- Molecular formula
- C12H13N
- Average molar mass
- 171.24 g/mol
- Monoisotopic mass
- 171.10479942
Names & identifiers
- Preferred name
- 2H-Azirine, 3-methyl-2-phenyl-2-(2-propenyl)-
- IUPAC
- 3-methyl-2-phenyl-2-prop-2-enylazirine
Names & synonyms
59175-18-72H-Azirine, 3-methyl-2-phenyl-2-(2-propenyl)-DTXSID50483208RefChem:268453DTXCID504340182-allyl-3-methyl-2-phenyl-2h-azirine3-methyl-2-phenyl-2-(prop-2-en-1-yl)-2H-azirine
Database identifiers
- CAS
59175-18-7- PubChem CID
- 12268024
- DTXSID
DTXSID50483208- Nikkaji
- J2.401.861J
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 12.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 236
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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