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CAS No.: | 7008-85-7 |
---|---|
Name: | 4-diazo-4H-imidazole-5-carboxamide |
Article Data: | 14 |
Molecular Structure: | |
Formula: | C4H3 N5 O |
Molecular Weight: | 137.101 |
Synonyms: | 5-Diazoimidazole-4-carboxamide |
Density: | 1.5530 (rough estimate) |
Melting Point: | 205-2100C (dec) |
Boiling Point: | 251.91°C (rough estimate) |
Safety: | A deadly poison by intraperitoneal route. Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. |
PSA: | 105.20000 |
LogP: | -1.76454 |
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Molecule structure of 5-Diazoimidazole-4-carboxamide (CAS NO.7008-85-7):
IUPAC Name: (Z)-Amino-(5-diazonioimidazol-4-ylidene)methanolate
Molecular Weight: 137.09952 g/mol
Molecular Formula: C4H3N5O
Melting Point: 205-2100 C (dec)
XLogP3-AA: 0.7
H-Bond Donor: 1
H-Bond Acceptor: 5
Tautomer Count: 4
Exact Mass: 137.03376
MonoIsotopic Mass: 137.03376
Topological Polar Surface Area: 102
Heavy Atom Count: 10
Complexity: 290
Canonical SMILES: C1=NC(=C(N)[O-])C(=N1)[N+]#N
Isomeric SMILES: C1=N/C(=C(/N)\[O-])/C(=N1)[N+]#N
InChI: InChI=1S/C4H3N5O/c5-3(10)2-4(9-6)8-1-7-2/h1H,(H2-,5,7,8,10)
InChIKey: NPULRJKDSGAKML-UHFFFAOYSA-N
EINECS: 230-284-3
Product Categories: Chemical Amines; Amines; Bases & Related Reagents; Heterocycles; Nucleotides
1. | dni-esc 10 µg/L | BCPCA6 Biochemical Pharmacology. 18 (1969),1463. | ||
2. | oms-esc 500 µg/L | BCPCA6 Biochemical Pharmacology. 18 (1969),1463. | ||
3. | dni-rat:lvr 100 µmol/L | CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) No. 2827 ,1976. | ||
4. | ipr-mus LD50:1002 µg/kg | NCISP* National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program, Bethesda, MD 20205 JAN86 . |
A deadly poison by intraperitoneal route. Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
5-Diazoimidazole-4-carboxamide (CAS NO.7008-85-7) is also named as 5-25-07-00240 (Beilstein Handbook Reference) ; BRN 4397897 ; Diazo-ica ; Diazoimidazole-4-carboxamide ; NSC 22420 ; 4-Diazo-4H-imidazole-5-carboxamide ; Imidazole-4-carboxamide, 5-diazo- . 5-Diazoimidazole-4-carboxamide (CAS NO.7008-85-7) is pale-pink solid.