5-Amino-4-imidazolecarboxamide Hydrochloride - CAS 72-40-2
Catalog: |
BB034613 |
Product Name: |
5-Amino-4-imidazolecarboxamide Hydrochloride |
CAS: |
72-40-2 |
Synonyms: |
4-amino-1H-imidazole-5-carboxamide;hydrochloride; 4-amino-1H-imidazole-5-carboxamide;hydrochloride |
IUPAC Name: | 4-amino-1H-imidazole-5-carboxamide;hydrochloride |
Description: | 5-Amino-4-imidazolecarboxamide hydrochloride is the hydrochloride salt of 5-Amino-4-imidazolecarboxamide, a metabolite of Temozolomide. It is also an impurity in the synthesis of Dacarbazine. |
Molecular Weight: | 162.58 |
Molecular Formula: | C4H7ClN4O |
Canonical SMILES: | C1=NC(=C(N1)C(=O)N)N.Cl |
InChI: | InChI=1S/C4H6N4O.ClH/c5-3-2(4(6)9)7-1-8-3;/h1H,5H2,(H2,6,9)(H,7,8);1H |
InChI Key: | MXCUYSMIELHIQL-UHFFFAOYSA-N |
Melting Point: | >183 °C (dec.) |
Purity: | > 95 % |
Appearance: | Pale gray solid |
MDL: | MFCD00012704 |
LogP: | 1.17430 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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Complexity: | 126 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 162.0308386 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 162.0308386 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 97.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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