Basic information
- CAS
29120-23-8- Standard SMILES
C[N+](C)=c1ccc2nc3ccc(N)cc3sc-2c1- InChIKey
HMYISFASHDWPMO-UHFFFAOYSA-O- Molecular formula
- C14H14N3S+
- Average molar mass
- 256.35 g/mol
- Monoisotopic mass
- 256.09084363
Overview
3-amino-7-(dimethylamino)phenothiazin-5-ium is an organic cation that is phenothiazin-5-ium substituted by amino and dimethylamino groups at positions 3 and 7 respectively. The chloride salt is the histological dye 'azure A'.
Names & identifiers
- Preferred name
- 3-Amino-7-(dimethylamino)phenothiazin-5-ium
- IUPAC
- (7-aminophenothiazin-3-ylidene)-dimethylazanium
Names & synonyms
3-amino-7-(dimethylamino)phenothiazin-5-iumazure A cation(7-aminophenothiazin-3-ylidene)-dimethylazaniumCHEMBL3330735CHEBI:87637azure A(1+)N9EP4JZ32QSCHEMBL2626788CHEMBL3558280SCHEMBL12166495SCHEMBL31621939CHEBI:87638
Show more names
BDBM50055937BDBM50434371Q2715979229120-23-8
Database identifiers
- CAS
29120-23-8- PubChem CID
- 13736
- ChEMBL
CHEMBL3330735、CHEMBL3558280- ChEBI
CHEBI:87638- UNII
- N9EP4JZ32Q
- Nikkaji
- J2.968.245C、J3.525.368H、J301.812A
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 66.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 1
- Complexity
- 483
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…