Basic information
- CAS
71382-46-2- Standard SMILES
Cc1c2ccccc2c(C)c2c1c1c(c3ccccc32)N1- InChIKey
HXSNQZMHFASZHG-UHFFFAOYSA-N- Molecular formula
- C20H15N
- Average molar mass
- 269.3 g/mol
- Monoisotopic mass
- 269.12044948
Names & identifiers
- Preferred name
- 7,12-Dimethylbenz(a)anthracene 5,6-imine
- IUPAC
- 12,19-dimethyl-3-azapentacyclo[9.8.0.02,4.05,10.013,18]nonadeca-1(19),2(4),5,7,9,11,13,15,17-nonaene
Names & synonyms
7,12-Dimethylbenz(a)anthracene 5,6-imine71382-46-2CCRIS 71697,12-DIMETHYLBENZ[A]ANTHRACENE 5,6-IMINE1a,11b-Dihydro-6,11-dimethylbenz(3,4)anthra(1,2-b)azirine89EDL7TTK6DTXSID202215736,11-Dimethyl-1H-tetrapheno[5,6-b]azirine1a,11b-Dihydro-6,11-dimethyl-1H-benz[a]anthra[5,6-b]azirine1H-Benz[a]anthra[5,6-b]azirine, 1a,11b-dihydro-6,11-dimethyl-
Database identifiers
- CAS
71382-46-2- PubChem CID
- 150672
- DTXSID
DTXSID20221573- UNII
- 89EDL7TTK6
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 21.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 418
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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