1a,2,3,7b-Tetrahydro-1h-naphtho[1,2-b]azirene
Basic information
- CAS
1196-87-8- Standard SMILES
c1ccc2c(c1)CCC1NC21- InChIKey
STIAGRVYHJJMCC-UHFFFAOYSA-N- Molecular formula
- C10H11N
- Average molar mass
- 145.2 g/mol
- Monoisotopic mass
- 145.08914936
Names & identifiers
- Preferred name
- 1a,2,3,7b-Tetrahydro-1h-naphtho[1,2-b]azirene
- IUPAC
- 1a,2,3,7b-tetrahydro-1H-naphtho[1,2-b]azirine
- English name
- 1,2,3,4-Tetrahydronaphtalene(1,2)imine
- Molecular formula
- C10H11N
- Molecular weight
- 145.20104
Names & synonyms
1196-87-81a,2,3,7b-tetrahydro-1h-naphtho[1,2-b]azirene1a,2,3,7b-tetrahydro-1H-naphtho[1,2-b]azirineNSC107260SCHEMBL10572399SCHEMBL30681414DTXSID40296046AKOS006347281NSC-1072601,2,3,4-Tetrahydronaphtalene(1,2)imine
Database identifiers
- CAS
1196-87-8- PubChem CID
- 267690
- DTXSID
DTXSID40296046
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 21.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 166
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Compound notes
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