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Substance Name: N-Nitrosodiethylamine
RN: 55-18-5
UNII: 3IQ78TTX1A
InChIKey: WBNQDOYYEUMPFS-UHFFFAOYSA-N

Note

  • A nitrosamine derivative with alkylating, carcinogenic, and mutagenic properties.

Molecular Formula

  • C4-H10-N2-O

Molecular Weight

  • 102.136
 

Classification Codes

Classification Codes

  • Alkylating Agents
  • 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

Names and Synonyms

Name of Substance

  • Diethylnitrosamine
  • N-Nitrosodiethylamine

MeSH Heading

  • Diethylnitrosamine

Synonyms

  • 4-04-00-03386 (Beilstein Handbook Reference)
  • AI3-62031
  • BRN 1744991
  • CCRIS 239
  • DEN
  • DEN (mutagen)
  • Diaethylnitrosamin
  • Diaethylnitrosamin [German]
  • Diethylamine, N-nitroso-
  • Diethylnitrosamide
  • Diethylnitrosamine
  • Diethylnitrosoamine
  • EINECS 200-226-1
  • Ethanamine, N-ethyl-N-nitroso-
  • Ethylamine, N-nitrosodi-
  • HSDB 4001
  • N,N-Diethylnitrosamine
  • N,N-Diethylnitrosoamine
  • N-Diethylnitrosamine
  • N-Ethyl-N-nitroso-ethanamine
  • N-Nitroso-diaethylamine
  • N-Nitroso-diaethylamine [German]
  • N-Nitroso-N,N-diethylamine
  • N-Nitrosodiethylamine
  • NDEA
  • Nitrosamine, diethyl-
  • Nitrosodiethylamine
  • NSC 132
  • RCRA waste number U174
  • UNII-3IQ78TTX1A

Systematic Names

  • Diethylamine, N-nitroso-
  • Diethylnitrosoamine
  • Ethanamine, N-ethyl-N-nitroso-
  • N,N-Diethylnitrosamine

Superlist Names

  • DEN
  • Ethanamine, N-ethyl-N-nitroso-
  • N-Nitrosodiethylamine
  • RCRA waste no. U174

Registry Numbers

CAS Registry Number

  • 55-18-5

FDA UNII

  • 3IQ78TTX1A

System Generated Number

  • 0000055185

Structure Descriptors

InChI

1S/C4H10N2O/c1-3-6(4-2)5-7/h3-4H2,1-2H3

InChIKey

WBNQDOYYEUMPFS-UHFFFAOYSA-N

Smiles

N(CC)(CC)N=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 intraperitoneal 175mg/kg (175mg/kg)   Carcinogenesis Vol. 5, Pg. 533, 1984.
guinea pig LD50 oral 250mg/kg (250mg/kg)   Zeitschrift fuer Krebsforschung. Vol. 69, Pg. 103, 1967.
hamster LD50 subcutaneous 232mg/kg (232mg/kg) BLOOD: OTHER CHANGES

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

LIVER: OTHER CHANGES
British Journal of Cancer. Vol. 33, Pg. 411, 1976.
hamster LD50 unreported 246mg/kg (246mg/kg) KIDNEY, URETER, AND BLADDER: "INFLAMMATION, NECROSIS, OR SCARRING OF BLADDER"

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

LIVER: OTHER CHANGES
Journal of the National Cancer Institute. Vol. 49, Pg. 595, 1972.
mouse LD50 intramuscular 356mg/kg (356mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 17(10), Pg. 51, 1973.
mouse LD50 intraperitoneal 132mg/kg (132mg/kg)   JNCI, Journal of the National Cancer Institute. Vol. 62, Pg. 911, 1979.
mouse LD50 intravenous 293mg/kg (293mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 17(10), Pg. 51, 1973.
mouse LD50 oral 200mg/kg (200mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) National Technical Information Service. Vol. OTS0555387,
mouse LD50 unreported 210mg/kg (210mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(8), Pg. 11, 1980.
rat LD50 intraperitoneal 216mg/kg (216mg/kg)   Biochemical Journal. Vol. 85, Pg. 72, 1962.
rat LD50 intravenous 280mg/kg (280mg/kg)   IARC Scientific Publications. Vol. 4, Pg. 45, 1973.
rat LD50 oral 220mg/kg (220mg/kg) LIVER: FATTY LIVER DEGERATION

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
Arzneimittel-Forschung. Drug Research. Vol. 14, Pg. 1167, 1964.
rat LD50 subcutaneous 195mg/kg (195mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

LIVER: OTHER CHANGES

GASTROINTESTINAL: ULCERATION OR BLEEDING FROM SMALL INTESTINE
Experimental Pathology Vol. 27, Pg. 171, 1985.
rat LD50 unreported 245mg/kg (245mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(8), Pg. 11, 1980.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point < 25 deg C   EXP
Boiling Point 176.9 deg C   EXP
log P (octanol-water) 0.48 (none)   EXP
Water Solubility 1.06E+05 mg/L 24 EXP
Vapor Pressure 0.86 mm Hg 20 EXP
Henry's Law Constant 3.63E-06 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 1.77E-11 cm3/molecule-sec 25 EST

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