N,N-diethylcyclohexanamine

• ChemBase ID: 107764
• Molecular Formular: C10H21N
• Molecular Mass: 155.28044
• Monoisotopic Mass: 155.16739968
• SMILES: CCN(CC)C1CCCCC1
• Canonical SMILES: CCN(C1CCCCC1)CC
• InChI: InChI=1S/C10H21N/c1-3-11(4-2)10-8-6-5-7-9-10/h10H,3-9H2,1-2H3
• InChIKey: CIXSDMKDSYXUMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-diethylcyclohexanamine
• IUPAC Traditional name: cyclohexanamine, N,N-diethyl-
• Synonyms: N,N-DIETHYLCYCLOHEXYLAMINE

Database IDs

• CAS Number: 91-65-6
• EC Number: 202-087-2
• PubChem SID: 162095457
• PubChem CID: 61571

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.79097503
• LogD (pH = 7.4): -0.42588535
• Log P: 2.7030559
• Molar Refractivity: 50.4995 cm^3
• Polarizability: 19.986317 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: GU5830125

DETAILS

MP Biomedicals - 05204949

MP Biomedicals Rare Chemical collection