Basic information
- CAS
6359-38-2- Standard SMILES
Cc1cc2c(-c3ccccc3)c3cc(C)c(N)cc3nc2cc1N.Cl- InChIKey
IRGJWOARIQASPH-UHFFFAOYSA-N- Molecular formula
- C21H20ClN3
- Average molar mass
- 349.9 g/mol
- Monoisotopic mass
- 349.1345753
Names & identifiers
- Preferred name
- Benzoflavin
- IUPAC
- 2,7-dimethyl-9-phenylacridine-3,6-diamine;hydrochloride
- English name
- Benzoflavin
- Molecular formula
- C21H19N3
- Molecular weight
- 313.4
Names & synonyms
BENZOFLAVINDTXSID909798122,7-Dimethyl-9-phenylacridine-3,6-diamine--hydrogen chloride (1/1)CI 46065benzoflavinc.i.no.46065BENZOFLAVIN (C.I. 46065)2,7-Dimethyl-9-phenyl-3,6-acridinediamine monohydrochloride3,6-Acridinediamine, 2,7-dimethyl-9-phenyl-, monohydrochloride
Database identifiers
- CAS
6359-38-2- PubChem CID
- 80690
- DTXSID
DTXSID90979812
Properties
Computed structural properties
- Topological polar surface area
- 64.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 403
Chemistry & industry
Suppliers2 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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