Product Name

  • Name

    1-Hexyl-1-nitrosourea

  • EINECS
  • CAS No. 18774-85-1
  • Density 1.14g/cm3
  • Solubility
  • Melting Point
  • Formula C7H15N3O2
  • Boiling Point 255.2°Cat760mmHg
  • Molecular Weight 173.25
  • Flash Point 108.2°C
  • Transport Information
  • Appearance
  • Safety 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.
  • Risk Codes
  • Molecular Structure Molecular Structure of 18774-85-1 (1-Hexyl-1-nitrosourea)
  • Hazard Symbols
  • Synonyms N-Hexylnitrosourea;Hexylnitrosourea;N-Hexyl-N-nitrosourea;Nitroso-n-hexylurea;Urea,1-hexyl-1-nitroso;
  • PSA 76.75000
  • LogP 2.14260

1-Hexyl-1-nitrosourea Chemical Properties

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-Hexyl-1-nitrosourea Toxicity Data With Reference

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.

1-Hexyl-1-nitrosourea Consensus Reports

EPA Genetic Toxicology Program.

1-Hexyl-1-nitrosourea Safety Profile

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.

1-Hexyl-1-nitrosourea Specification

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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