Benzoic acid, p-guanidino-, ethyl ester, monohydrochloride
Basic information
- CAS
24503-25-1- Standard SMILES
CCOC(=O)c1ccc([NH+]=C(N)N)cc1.[Cl-]- InChIKey
JVKHTQOESNXCQB-UHFFFAOYSA-N- Molecular formula
- C10H14ClN3O2
- Average molar mass
- 243.69 g/mol
- Monoisotopic mass
- 243.0774544
Names & identifiers
- Preferred name
- Benzoic acid, p-guanidino-, ethyl ester, monohydrochloride
- IUPAC
- diaminomethylidene-(4-ethoxycarbonylphenyl)azanium chloride
Names & synonyms
24503-25-1BENZOIC ACID, p-GUANIDINO-, ETHYL ESTER, MONOHYDROCHLORIDERefChem:1079318p-Guanidinobenzoic acid ethyl ester hydrochlorideNSC 14607p-Carbethoxyphenyl guanidine hydrochloride
Database identifiers
- CAS
24503-25-1- PubChem CID
- 32466
Properties
Computed structural properties
- Topological polar surface area
- 92.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 241
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Compound notes
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