4'-Carboethoxyphenyl 4-guanidinobenzoate hydrochloride
Basic information
- CAS
89022-08-2- Standard SMILES
CCOC(=O)c1ccc(OC(=O)c2ccc(N=C(N)N)cc2)cc1.Cl- InChIKey
XMXUDKUDGCGBCB-UHFFFAOYSA-N- Molecular formula
- C17H18ClN3O4
- Average molar mass
- 363.8 g/mol
- Monoisotopic mass
- 363.0985838
Names & identifiers
- Preferred name
- 4'-Carboethoxyphenyl 4-guanidinobenzoate hydrochloride
- IUPAC
- (4-ethoxycarbonylphenyl) 4-(diaminomethylideneamino)benzoate;hydrochloride
Names & synonyms
NC5COP3XA389022-08-24'-Carboethoxyphenyl 4-guanidinobenzoate hydrochlorideRefChem:1069027Benzoic acid, 4-((aminoiminomethyl)amino)-, 4-(ethoxycarbonyl)phenyl ester, monohydrochloride4-((Aminoiminomethyl)amino)benzoic acid 4-(ethoxycarbonyl)phenyl ester hydrochlorideUNII-NC5COP3XA3CHEMBL540096SCHEMBL7321495NIOSH/DH1421750DTXSID30237483DH14217500
Show more names
Benzoic acid, p-guanidino-, ethoxycarbonylphenyl ester, monohydrochloride4-(Ethoxycarbonyl)phenyl 4-[(diaminomethylidene)amino]benzoate--hydrogen chloride (1/1)BENZOIC ACID, 4-((AMINOIMINOMETHYL)AMINO)-, 4-(ETHOXYCARBONYL)PHENYL ESTER, HYDROCHLORIDE (1:1)
Database identifiers
- CAS
89022-08-2- PubChem CID
- 3033741
- DTXSID
DTXSID30237483- ChEMBL
CHEMBL540096- UNII
- NC5COP3XA3
Properties
Computed structural properties
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 460
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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