4-(2-Guanidinoethyl)benzoic acid
4-[2-(diaminomethylideneamino)ethyl]benzoic acid
Also Known As: 4-(2-guanidinoethyl)benzoic acid|4-(guanidinoethyl)benzoic acid|4-[2-(diaminomethylideneamino)ethyl]benzoic acid|4-[2-(hydrazinylmethylideneamino)ethyl]benzoic acid|Benzoic acid, 4-[2-[(aminoiminomethyl)amino]ethyl]-
CAS: 64124-30-7
| Molecular Formula | C10H13N3O2 |
|---|---|
| Molecular Weight | 207.10077 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 207.10077 |
| Monoisotopic Mass | 207.10077 |
| Heavy Atoms | 15 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 64124-30-7 |
|---|---|
| SMILES | C1=CC(=CC=C1CCN=C(N)N)C(=O)O |
| InChIKey | NYEQPPGHJFJEQG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Organic Building Blocks (2 patents)
Pharmaceutical Intermediates (3 patents)
Product Overview
4-(2-Guanidinoethyl)benzoic acid (CAS 64124-30-7), with molecular formula C10H13N3O2 and molecular weight 207.10077 g/mol. IUPAC: 4-[2-(diaminomethylideneamino)ethyl]benzoic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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