Basic information
- CAS
72894-28-1- Standard SMILES
CCN(CC[N+](C)(C)CC(C)O)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2Cl)cc1.O=S(=O)([O-])[O-]- InChIKey
ZSTRVSJNWUAODT-UHFFFAOYSA-L- Molecular formula
- C21H29ClN5O7S-
- Average molar mass
- 531 g/mol
- Monoisotopic mass
- 530.1476221
Names & identifiers
- Preferred name
- (2-((4-((2-Chloro-4-nitrophenyl)azo)phenyl)ethylamino)ethyl)(2-hydroxypropyl)dimethylammonium hydrogen sulphate
- IUPAC
- 2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethylanilino]ethyl-(2-hydroxypropyl)-dimethylazanium sulfate
Names & synonyms
EINECS 276-973-21-Propanaminium, N-(2-((4-((2-chloro-4-nitrophenyl)azo)phenyl)ethylamino)ethyl)-2-hydroxy-N,N-dimethyl-, sulfate (1:1) (salt)1-Propanaminium, N-(2-((4-(2-(2-chloro-4-nitrophenyl)diazenyl)phenyl)ethylamino)ethyl)-2-hydroxy-N,N-dimethyl-, sulfate (1:1)(2-((4-((2-Chloro-4-nitrophenyl)azo)phenyl)ethylamino)ethyl)(2-hydroxypropyl)dimethylammonium hydrogen sulphate2-(Ethyl(4-((2-chloro-4-nitrophenyl)azo)phenyl)amino)-N,N-dimethyl-N-(2-hydroxypropyl)ethanaminium hydrogen sulfate
Database identifiers
- CAS
72894-28-1、85187-96-8- PubChem CID
- 166348
Properties
Computed structural properties
- Topological polar surface area
- 183 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- -1
- Complexity
- 626
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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