N-(N-cyclohexylcarboximidoyl)cyclohexanamine

• ChemBase ID: 123318
• Molecular Formular: C13H22N2
• Molecular Mass: 206.32718
• Monoisotopic Mass: 206.17829871
• SMILES: C(=NC1CCCCC1)=NC1CCCCC1
• Canonical SMILES: C1CCC(CC1)N=C=NC1CCCCC1
• 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
• InChIKey: QOSSAOTZNIDXMA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(N-cyclohexylcarboximidoyl)cyclohexanamine
• IUPAC Traditional name: dicyclohexylcarbodiimide
• Synonyms: N,N'-methanediylidenedicyclohexanamine; 1,3-Dicyclohexylcarbodiimide; Bis(cyclohexyl)carbodiimide; DCC; DCCD; DCCI; Dicyclohexylcarbodiimide; N,N’-Methanetetraylbis[cyclohexanamine]; NSC 30022; NSC 53373; NSC 57182; N,N'-Dicyclohexylcarbodiimide

Database IDs

• CAS Number: 538-75-0
• PubChem SID: 162217671
• PubChem CID: 10868

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.7913857
• LogD (pH = 7.4): 3.792248
• Log P: 3.7922592
• Molar Refractivity: 62.3204 cm^3
• Polarizability: 24.36774 Å^3
• Polar Surface Area: 24.72 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Methanol
• Apperance: Off-White Low Melting Solid

Safety Information

• Storage Condition: Refrigerator

DETAILS

Toronto Research Chemicals - D438500

N,N'-Dicyclohexylcarbodiimide is a carbodiimide used to couple amino acids during peptide synthesis. N,N'-Dicyclohexylcarbodiimide is used as a dehydrating agent for the preparation of amides, ketones, nitriles as well as in the inversion and esterificati

REFERENCES

• Neises, B. et al.: Org. Synth., 7, 93 (1990)
• Liang, G.-B. et al.: Tetrahed. Lett., 37, 6627 (1990)