Azure B (11)
Basic information
- CAS
1232136-51-4- Standard SMILES
CNc1ccc2nc3ccc(=[N+](C)C)cc-3sc2c1- InChIKey
KKGWEPLBCABCDN-UHFFFAOYSA-O- Molecular formula
- C15H16N3S+
- Average molar mass
- 270.4 g/mol
- Monoisotopic mass
- 270.1064937
Overview
3-(dimethylamino)-7-(methylamino)phenothiazin-5-ium is an organic cation that is phenothiazin-5-ium substituted by dimethylamino and amino groups at positions 3 and 7 respectively. The chloride salt is the histological dye 'azure B'.
Names & identifiers
- Preferred name
- Azure B (11)
- IUPAC
- dimethyl-[7-(methylamino)phenothiazin-3-ylidene]azanium
Names & synonyms
Azure B (11)RefChem:1077432azure B cation3-(Dimethylamino)-7-(methylamino)phenothiazin-5-iumEINECS 231-365-6NSC 16166CHEMBL333073629260-45-5azure B(1+)587K6KJX2CSCHEMBL2626785CHEMBL3558304
Show more names
SCHEMBL12166426CHEBI:87640DTXSID30859462BDBM214727DTXSID801015121BDBM50055938Q27159793N,N-Dimethyl-7-(methylamino)-3H-phenothiazin-3-iminium
Database identifiers
- CAS
1232136-51-4、29260-45-5、7508-40-9- PubChem CID
- 68276
- DTXSID
DTXSID801015121- ChEMBL
CHEMBL3330736、CHEMBL3558304- ChEBI
CHEBI:87640- UNII
- 587K6KJX2C
- Nikkaji
- J2.713.088G、J253.839C
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 52.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 1
- Complexity
- 498
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Related reactions
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Compound notes
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