Benzoic acid, 4-((aminoiminomethyl)amino)-, 2-(aminocarbonyl)phenyl ester, monohydrochloride
Basic information
- CAS
89022-09-3- Standard SMILES
Cl.NC(=O)c1ccccc1OC(=O)c1ccc(N=C(N)N)cc1- InChIKey
ZJYRGWQQQOOTIT-UHFFFAOYSA-N- Molecular formula
- C15H15ClN4O3
- Average molar mass
- 334.76 g/mol
- Monoisotopic mass
- 334.083268
Names & identifiers
- Preferred name
- Benzoic acid, 4-((aminoiminomethyl)amino)-, 2-(aminocarbonyl)phenyl ester, monohydrochloride
- IUPAC
- (2-carbamoylphenyl) 4-(diaminomethylideneamino)benzoate;hydrochloride
Names & synonyms
Benzoic acid, 4-((aminoiminomethyl)amino)-, 2-(aminocarbonyl)phenyl ester, monohydrochloride89022-09-34-((Aminoiminomethyl)amino)benzoic acid 2-(aminocarbonyl)phenyl ester hydrochlorideDTXSID90237484RefChem:327343DTXCID90159975CHEMBL5455642-Carbamoylphenyl 4-[(diaminomethylidene)amino]benzoate--hydrogen chloride (1/1)
Database identifiers
- CAS
89022-09-3- PubChem CID
- 13245403
- DTXSID
DTXSID90237484- ChEMBL
CHEMBL545564
Properties
Computed structural properties
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 440
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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