N,N′-Dicyclohexylcarbodiimide

C13H22N2CAS 538-75-0206.33 g/mol

Open in Covalent MOL file
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Properties

Molecular formula
C13H22N2
Molar mass
206.33 g/mol
Exact mass
206.1783 Da
Melting point
34.5 °C
Boiling point
154–156 °C
Flash point
112.8 °C
logP
3.83Crippen estimate
Polar surface area
24.7 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Danger
Corrosive (GHS05)Acute Toxic (GHS06)

Harmonised EU classification (CLP Annex VI, index 615-019-00-5), via PubChem.

Precautionary statements

P261, P262, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P354+P338, P316, P317, P321, P330, P333+P317, P361+P364, P362+P364, P405, P501

Identifiers

CAS number
538-75-0
SMILES
C(=NC1CCCCC1)=NC1CCCCC1
InChIKey
QOSSAOTZNIDXMA-UHFFFAOYSA-N
InChI
InChI=1S/C13H22N2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13/h12-13H,1-10H2

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Names and synonyms

13 names · show all
  • N,N'-Dicyclohexylcarbodiimide
  • Cyclohexanamine, N,N′-methanetetraylbis-
  • Carbodiimide, dicyclohexyl-
  • N,N′-Methanetetraylbis[cyclohexanamine]
  • DCCD
  • 1,3-Dicyclohexylcarbodiimide
  • Dicyclohexylcarbodiimide
  • DCCI
  • DCC
  • Bis(cyclohexyl)carbodiimide
  • NSC 30022
  • NSC 53373
  • NSC 57182

Safety data sheets

2 stored sheets list this compound in section 3, matched by the CAS number 538-75-0. Each row opens the sheet with its composition and PDF.

Open in the SDS library

Work with N,N′-Dicyclohexylcarbodiimide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Cyclohexyl isothiocyanate1122-82-357 % similar Cyclohexyl isocyanate3173-53-357 % similar Cyclopentyl isothiocyanate33522-03-152 % similar Cyclopentyl isocyanate4747-71-152 % similar Cyclohexylformamide766-93-838 % similar Cyclopropyl isothiocyanate56601-42-436 % similar Bicyclohexyl92-51-333 % similar Cyclohexanecarbonitrile766-05-230 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(Aminomethyl)-N,N-dipropylaniline1020969-90-7 N-Octylpyridin-4-amine64690-19-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia