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Substance Name: 1,3-Diisopropylcarbodiimide
RN: 693-13-0
UNII: OQO20I6TWH
InChIKey: BDNKZNFMNDZQMI-UHFFFAOYSA-N

Note

  • Activates carboxyl groups.

Classification Code

  • Tumor Data

Molecular Formula

  • C7-H14-N2

Molecular Weight

  • 126.2016
 
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Names and Synonyms

Name of Substance

  • 1,3-Diisopropylcarbodiimide

Synonyms

  • 4-04-00-00531 (Beilstein Handbook Reference)
  • BRN 0878281
  • CCRIS 3413
  • Diisopropylcarbodiimide
  • EINECS 211-743-7
  • HSDB 8051
  • N,N'-Diisopropylcarbodiimide
  • N,N'-Methanetetraylbis-2-propanamine
  • NSC 42080
  • UNII-OQO20I6TWH

Systematic Names

  • 2-Propanamine, N,N'-methanetetraylbis-
  • Carbodiimide, diisopropyl-
  • Diisopropylcarbodiimide
  • N,N'-Methanetetraylbis(1-methylethylamine)

Registry Numbers

CAS Registry Number

  • 693-13-0

FDA UNII

  • OQO20I6TWH

System Generated Number

  • 0000693130

Structure Descriptors

InChI

1S/C7H14N2/c1-6(2)8-5-9-7(3)4/h6-7H,1-4H3

InChIKey

BDNKZNFMNDZQMI-UHFFFAOYSA-N

Smiles

CC(C)N=C=NC(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 36mg/kg (36mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#05886,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 147 deg C   EXP
log P (octanol-water) 4.110 (none)   EST
Water Solubility 29.3 mg/L 25 EST
Vapor Pressure 9.790 mm Hg 25 EST
Henry's Law Constant 9.92E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.55E-12 cm3/molecule-sec 25 EST

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