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Cas Database |
| Name |
Nitrosocimetidine |
EINECS | N/A |
| CAS No. | 73785-40-7 | Density | 1.36g/cm3 |
| PSA | 134.83000 | LogP | 1.38208 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C10H15 N7 O S | Boiling Point | 493.9°C at 760 mmHg |
| Molecular Weight | 299.357 | Flash Point | 252.5°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Questionable carcinogen with experimental carcinogenic data. An experimental teratogen. Human mutation data reported. Many N-nitroso compounds are carcinogens. When heated to decomposition it emits toxic fumes of SOx and NOx. See also N-NITROSO COMPOUNDS. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Guanidine,N'-cyano-N-methyl-N''-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]-N-nitroso-(9CI); N-Nitrosocimetidine; Nitrosocimetidine |
Article Data | 3 |
Nitrosocimetidine Chemical Properties
Product Name: Nitrosocimetidine (CAS NO.73785-40-7)
Molecular Formula: C10H15N7OS
Molecular Weight: 281.38g/mol
Mol File: 73785-40-7.mol
Boiling point: 493.9 °C at 760 mmHg
Flash Point: 252.5 °C
Density: 1.36 g/cm3
Surface Tension: 56.5 dyne/cm
Enthalpy of Vaporization: 76.12 kJ/mol
Vapour Pressure: 6.75E-10 mmHg at 25°C
XLogP3-AA: 0.7
H-Bond Donor: 2
H-Bond Acceptor: 7
Structure Descriptors of Nitrosocimetidine (CAS NO.73785-40-7):
IUPAC Name: 3-cyano-1-methyl-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-1-nitrosoguanidine
Canonical SMILES: CC1=C(N=CN1)CSCCN=C(NC#N)N(C)N=O
InChI: InChI=1S/C10H15N7OS/c1-8-9(15-7-14-8)5-19-4-3-12-10(13-6-11)17(2)16-18/h7H,3-5H2,1-2H3,(H,12,13)(H,14,15)
InChIKey: LFTUYYPQNCJQGN-UHFFFAOYSA-N
Nitrosocimetidine Toxicity Data With Reference
| 1. | mma-sat 1 mg/plate | TOLED5 Toxicology Letters. 12 (1982),281. | ||
| 2. | sce-hmn:lym 260 µmol/L | MUREAV Mutation Research. 156 (1985),117. | ||
| 3. | orl-mus TDLo:1316 mg/(pre-post):CAR,TER | CNREA8 Cancer Research. 45 (1985),3561. |
Nitrosocimetidine Safety Profile
Questionable carcinogen with experimental carcinogenic data. An experimental teratogen. Human mutation data reported. Many N-nitroso compounds are carcinogens. When heated to decomposition it emits toxic fumes of SOx and NOx. See also N-NITROSO COMPOUNDS.
Nitrosocimetidine Specification
Nitrosocimetidine , its CAS NO. is 73785-40-7, the synonyms are CCRIS 1952 ; N-Nitrosocimetidine ; Guanidine, 2-cyano-1-methyl-3-(2-(((5-methylimidazol-4-yl)methyl)thio)ethyl)-1-nitroso- ; Guanidine, N'-cyano-N-methyl-N''-(2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)-N-nitroso- .
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