Product Name: 1-Hexyl-1-nitrosourea
CAS Registry Number: 18774-85-1
Synonyms: 1-Hexyl-1-nitrosourea ; BRN 2963800 ; CCRIS 3916 ; Hexylnitrosourea ; Nitroso-n-hexylurea ; Urea, 1-hexyl-1-nitroso-
IUPAC Name: 1-hexyl-1-nitrosourea
Molecular Weight: 173.2129 [g/mol]
Molecular Formula: C7H15N3O2
XLogP3: 2.2
H-Bond Donor: 1
H-Bond Acceptor: 3
Surface Tension: 44 dyne/cm
Density: 1.14 g/cm3
Flash Point: 108.2 °C
Enthalpy of Vaporization: 49.27 kJ/mol
Boiling Point: 255.2 °C at 760 mmHg
Vapour Pressure: 0.0165 mmHg at 25°C
Following is the molecular structure of 1-Hexyl-1-nitrosourea (CAS NO.18774-85-1) is:
1. | mmo-sat 1 µg/plate | MUREAV Mutation Research. 68 (1979),1. | ||
2. | mma-sat 10 µg/plate | TCMUE9 Topics in Chemical Mutagenesis. 1 (1984),13. | ||
3. | skn-mus TDLo:693 mg/kg/50W-I:CAR | JCROD7 Journal of Cancer Research and Clinical Oncology. 102 (1981),13. |
EPA Genetic Toxicology Program.
Questionable carcinogen with carcinogenic and tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also N-NITROSO COMPOUNDS.
Descriptors computed from structure, you can know some information about 1-Hexyl-1-nitrosourea (CAS NO.18774-85-1) :
Canonical SMILES: CCCCCCN(C(=O)N)N=O
InChI: InChI=1S/C7H15N3O2/c1-2-3-4-5-6-10(9-12)7(8)11/h2-6H2,1H3,(H2,8,11)
InChIKey: JQPBCNVLZQUNCT-UHFFFAOYSA-N
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