7-(diethylamino)heptanenitrile

• ChemBase ID: 10698
• Molecular Formular: C11H22N2
• Molecular Mass: 182.30578
• Monoisotopic Mass: 182.17829871
• SMILES: C(N(CC)CCCCCCC#N)C
• Canonical SMILES: N#CCCCCCCN(CC)CC
• InChI: InChI=1S/C11H22N2/c1-3-13(4-2)11-9-7-5-6-8-10-12/h3-9,11H2,1-2H3
• InChIKey: ZTWBNXMVYJDZOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(diethylamino)heptanenitrile
• IUPAC Traditional name: 7-(diethylamino)heptanenitrile
• Synonyms: 7-(Diethylamino)heptanonitrile; 7-DIETHYLAMINO HEPTONITRILE

Database IDs

• MDL Number: MFCD00045652
• PubChem SID: 160974005
• PubChem CID: 3857194

CALCULATED PROPERTIES

• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.1822253
• LogD (pH = 7.4): -0.52535754
• Log P: 2.2990975
• Molar Refractivity: 57.8066 cm^3
• Polarizability: 22.37603 Å^3
• Polar Surface Area: 27.03 Å^2
• Rotatable Bonds: 8

PROPERTIES

Safety Information

• Storage Warning: CORROSIVE
• TSCA Listed: false

Product Information

• Purity: 97%

DETAILS

MP Biomedicals - 05214276

MP Biomedicals Rare Chemical collection