4-Guanidinobenzoic acid hydrochloride - CAS 42823-46-1
Catalog: |
BB025236 |
Product Name: |
4-Guanidinobenzoic acid hydrochloride |
CAS: |
42823-46-1 |
Synonyms: |
4-(diaminomethylideneamino)benzoic acid;hydrochloride |
IUPAC Name: | 4-(diaminomethylideneamino)benzoic acid;hydrochloride |
Description: | Aminobenzoic acid derivatives for treatment of chronic inflammatory diseases. |
Molecular Weight: | 215.64 |
Molecular Formula: | C8H10ClN3O2 |
Canonical SMILES: | C1=CC(=CC=C1C(=O)O)N=C(N)N.Cl |
InChI: | InChI=1S/C8H9N3O2.ClH/c9-8(10)11-6-3-1-5(2-4-6)7(12)13;/h1-4H,(H,12,13)(H4,9,10,11);1H |
InChI Key: | YETFLAUJROGBMC-UHFFFAOYSA-N |
Boiling Point: | 438.4 ℃ at 760 mmHg |
Melting Point: | 285 ℃ (dec.) |
Purity: | 98 % |
Appearance: | Off-white solid |
Storage: | 0-6 ℃ |
MDL: | MFCD00040587 |
LogP: | 2.36520 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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Complexity: | 215 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 215.0461543 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 215.0461543 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 102 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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