Basic information
- CAS
66967-86-0- Standard SMILES
CN(C)C(=O)Oc1cc([N+](C)(C)C)ccc1N=Nc1ccccc1.[I-]- InChIKey
JSSRQPSYZNFTTQ-UHFFFAOYSA-M- Molecular formula
- C18H23IN4O2
- Average molar mass
- 454.3 g/mol
- Monoisotopic mass
- 454.08657
Names & identifiers
- Preferred name
- (3-Hydroxy-4-(phenylazo)phenyl)trimethylammonium iodide dimethylcarbamate (ester)
- IUPAC
- [3-(dimethylcarbamoyloxy)-4-phenyldiazenylphenyl]-trimethylazanium iodide
Names & synonyms
(3-Hydroxy-4-(phenylazo)phenyl)trimethylammonium iodide dimethylcarbamate (ester)66967-86-0Ro 2-1940Ammonium, (3-hydroxy-4-(phenylazo)phenyl)trimethyl-, iodide, dimethylcarbamate (ester)
Database identifiers
- CAS
66967-86-0- PubChem CID
- 48663
Properties
Computed structural properties
- Topological polar surface area
- 54.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 439
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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