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Substance Name: Dicyclohexylcarbodiimide
RN: 538-75-0
UNII: 0T1427205E
InChIKey: QOSSAOTZNIDXMA-UHFFFAOYSA-N

Note

  • A carbodiimide that is used as a chemical intermediate and coupling agent in peptide synthesis. (From Hawley's Condensed Chemical Dictionary, 12th ed)

Molecular Formula

  • C13-H22-N2

Molecular Weight

  • 206.3308
 

Classification Code

  • Tumor Data
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Names and Synonyms

Name of Substance

  • Dicyclohexylcarbodiimide

MeSH Heading

  • Dicyclohexylcarbodiimide

Synonyms

  • 1,3-Dicyclohexylcarbodiimide
  • 4-12-00-00072 (Beilstein Handbook Reference)
  • AI3-08191
  • Bis(cyclohexyl)carbodiimide
  • BRN 0610662
  • Carbodicyclohexylimide
  • CCRIS 9266
  • DCC
  • DCCD
  • DCCI
  • Dicyclohexylcarbodiimide
  • EC 208-704-1
  • EINECS 208-704-1
  • HSDB 8049
  • N,N'-Dicyclohexylcarbodiimide
  • N,N'-Methanetetraylbiscyclohexaamine
  • NSC 30022
  • UNII-0T1427205E

Systematic Names

  • Carbodiimide, dicyclohexyl-
  • Cyclohexaamine, N,N'-methanetetraylbis- (9CI)
  • Cyclohexanamine, N,N'-methanetetraylbis-
  • Dicyclohexylcarbodiimide

Registry Numbers

CAS Registry Number

  • 538-75-0

FDA UNII

  • 0T1427205E

System Generated Number

  • 0000538750

Structure Descriptors

InChI

1S/C13H22N2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13/h12-13H,1-10H2

InChIKey

QOSSAOTZNIDXMA-UHFFFAOYSA-N

Smiles

C1CCC(CC1)N=C=NC2CCCCC2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 skin 10mL/kg (10mL/kg)   National Technical Information Service. Vol. OTS0555962,
mouse LD50 intraperitoneal > 800mg/kg (800mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
National Technical Information Service. Vol. OTS0555962,
mouse LD50 oral > 800mg/kg (800mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
National Technical Information Service. Vol. OTS0555962,
rat LC50 inhalation 159mg/m3/6H (159mg/m3) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

VASCULAR: REGIONAL OR GENERAL ARTERIOLAR OR VENOUS DILATION

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
National Technical Information Service. Vol. OTS0555962,
rat LD50 intraperitoneal 10mg/kg (10mg/kg) LUNGS, THORAX, OR RESPIRATION: CYANOSIS

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
National Technical Information Service. Vol. OTS0555962,
rat LD50 oral 400mg/kg (400mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

BEHAVIORAL: MUSCLE WEAKNESS

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
National Technical Information Service. Vol. OTS0555962,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 34.5 deg C   EXP
log P (octanol-water) 6.830 (none)   EST
Atmospheric OH Rate Constant 2.00E-11 cm3/molecule-sec 25 EST

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