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Substance Name: N-Nitroso-N-methylurea
RN: 684-93-5
UNII: W8KW4E3XSU
InChIKey: ZRKWMRDKSOPRRS-UHFFFAOYSA-N

Note

  • A nitrosourea compound with alkylating, carcinogenic, and mutagenic properties.

Molecular Formula

  • C2-H5-N3-O2

Molecular Weight

  • 103.0805
 

Classification Codes

Classification Codes

  • Alkylating Agents
  • Drug / Therapeutic Agent
  • Mutation Data
  • Noxae
  • Reproductive Effect
  • Tumor Data

Superlist Classification Codes

  • Overall Carcinogenic Evaluation: Group 2A
  • Reasonably Anticipated to be a Carcinogen
  • Reportable Quantity (RQ) = 1 lb
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Names and Synonyms

Name of Substance

  • Methylnitrosourea
  • N-Nitroso-N-methylurea

MeSH Heading

  • Methylnitrosourea

Synonyms

  • 1-Methyl-1-nitrosomocovina
  • 1-Methyl-1-nitrosomocovina [Czech]
  • 1-Methyl-1-nitrosourea
  • 1-Nitroso-1-methylurea
  • AI3-50583
  • Carbamide, N-methyl-N-nitroso-
  • CCRIS 404
  • EINECS 211-678-4
  • HSDB 5112
  • Methylnitroso-harnstoff
  • Methylnitroso-harnstoff [German]
  • Methylnitrosouree
  • Methylnitrosouree [French]
  • MNU
  • N-Methyl-N-nitroso-harnstoff
  • N-Methyl-N-nitroso-harnstoff [German]
  • N-Methyl-N-nitrosourea
  • N-Nitroso-N-methyl-harnstoff
  • N-Nitroso-N-methyl-harnstoff [German]
  • N-Nitroso-N-methylcarbamide
  • N-Nitroso-N-methylurea
  • Nitrosomethylurea
  • NMH
  • NMH [German]
  • NMU
  • NSC 23909
  • NSC-23909
  • O-Nitroso-N-methyl-harnstoff
  • O-Nitroso-N-methyl-harnstoff [German]
  • RCRA waste number U177
  • SKI 24464
  • SRI 859
  • UNII-W8KW4E3XSU

Systematic Names

  • 1-Methyl-1-nitrosourea
  • N-Methyl-N-nitrosourea
  • Urea, 1-methyl-1-nitroso-
  • Urea, N-methyl-N-nitroso-

Superlist Names

  • N-Methyl-N-nitrosourea
  • N-Nitroso-N-methylurea
  • RCRA waste no. U177
  • Urea, N-methyl-N-nitroso-

Registry Numbers

CAS Registry Number

  • 684-93-5

FDA UNII

  • W8KW4E3XSU

Other Registry Numbers

  • 126742-50-5
  • 820-60-0

System Generated Number

  • 0000684935

Structure Descriptors

InChI

InChI=1S/C2H5N3O2/c1-5(4-7)2(3)6/h1H3,(H2,3,6)

InChIKey

ZRKWMRDKSOPRRS-UHFFFAOYSA-N

Smiles

CN(N=O)C(=O)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
hamster LD50 subcutaneous 113mg/kg (113mg/kg)   British Journal of Cancer. Vol. 29, Pg. 359, 1974.
hamster LDLo intravenous 42mg/kg (42mg/kg)   Journal of Pathology and Bacteriology. Vol. 92, Pg. 35, 1966.
mammal (species unspecified) LD50 intravenous 110mg/kg (110mg/kg)   Gann Monograph on Cancer Research. Vol. 17, Pg. 107, 1975.
mammal (species unspecified) LD50 oral 110mg/kg (110mg/kg)   Gann Monograph on Cancer Research. Vol. 17, Pg. 107, 1975.
mouse LD50 intraperitoneal 144mg/kg (144mg/kg)   Cancer Research. Vol. 30, Pg. 11, 1970.
rat LD50 intraperitoneal 110mg/kg (110mg/kg)   Nature. Vol. 222, Pg. 1064, 1969.
rat LD50 intravenous 108mg/kg (108mg/kg)   Naunyn-Schmiedebergs Archiv fuer Pharmakologie und Experimentelle Pathologie. Vol. 257, Pg. 296, 1967.
rat LD50 oral 110mg/kg (110mg/kg)   Zeitschrift fuer Krebsforschung. Vol. 69, Pg. 103, 1967.
rat LDLo implant 30mg/kg (30mg/kg) KIDNEY, URETER, AND BLADDER: OTHER CHANGES Chemico-Biological Interactions. Vol. 5, Pg. 139, 1972.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 123.5 dec deg C   EXP
log P (octanol-water) -0.03 (none)   EXP
Water Solubility 1.44E+04 mg/L 23 EXP
Vapor Pressure 0.029 mm Hg 25 EST
Henry's Law Constant 9.91E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.56E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.