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Substance Name: N-Nitrosodiethanolamine
RN: 1116-54-7
UNII: 30YI1289VY
InChIKey: YFCDLVPYFMHRQZ-UHFFFAOYSA-N

Molecular Formula

  • C4-H10-N2-O3

Molecular Weight

  • 134.134
 

Classification Codes

Classification Codes

  • Carcinogens
  • Mutation Data
  • Noxae
  • TSCA Flag S (Substance is Identified in a Final Significant New Use Rule)
  • Tumor Data

Superlist Classification Codes

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

Name of Substance

  • N-Nitrosodiethanolamine

Synonyms

  • 2,2'-(Nitrosoimino)bisethanol
  • 2,2'-Iminodi-N-nitrosoethanol
  • 3-04-00-00721 (Beilstein Handbook Reference)
  • Bis(beta-hydroxyaethyl)nitrosamin
  • Bis(beta-hydroxyaethyl)nitrosamin [German]
  • Bis(beta-hydroxyethyl)nitrosamine
  • BRN 1762620
  • CCRIS 463
  • Di-(2-hydroxyethyl)-nitrosamine
  • Diaethanolnitrosamin
  • Diaethanolnitrosamin [German]
  • Diethanolnitrosamine
  • Diethanolnitrosoamine
  • Diethylamine, 2,2'-dihydroxy-N-nitroso-
  • EINECS 214-237-4
  • Ethanol, 2,2'-(nitrosoimino)bis-
  • Ethanol, 2,2'-nitrosiminodi-
  • Ethanol, N-nitrosoiminodi-
  • HSDB 4180
  • N,N-Diethanolnitrosamine
  • N-Nitrosoaminodiethanol
  • N-Nitrosobis(2-hydroxyethyl)amine
  • N-Nitrosodiaethanolamin
  • N-Nitrosodiaethanolamin [German]
  • N-Nitrosodiethanolamine
  • NCI-C55583
  • Ndela
  • Nitrosodiethanolamine
  • Nitrosoimino diethanol
  • RCRA waste number U173
  • UNII-30YI1289VY

Systematic Names

  • 2,2'-(Nitrosoimino)bisethanol
  • Ethanol, 2,2'-(nitrosoimino)bis-
  • Ethanol, N-nitrosoiminodi-
  • N-Nitrosodiethanolamine

Superlist Names

  • Ethanol, 2,2'-(nitrosoimino)bis-
  • N-Nitrosodiethanolamine
  • RCRA waste no. U173

Registry Numbers

CAS Registry Number

  • 1116-54-7

FDA UNII

  • 30YI1289VY

System Generated Number

  • 0001116547

Structure Descriptors

InChI

1S/C4H10N2O3/c7-3-1-6(5-9)2-4-8/h7-8H,1-4H2

InChIKey

YFCDLVPYFMHRQZ-UHFFFAOYSA-N

Smiles

N(CCO)(CCO)N=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
hamster LDLo subcutaneous 11gm/kg (11000mg/kg)   Cancer Letters Vol. 4, Pg. 55, 1977.
rat LD50 oral 7500mg/kg (7500mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 40(1), Pg. 81, 1975.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -1.280 (none)   EST
Water Solubility 1.00E+06 mg/L   EXP
Vapor Pressure 5.00E-04 mm Hg 25 EST
Henry's Law Constant 4.85E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.97E-11 cm3/molecule-sec 25 EST

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