2-(dibutylamino)acetonitrile

• ChemBase ID: 10687
• Molecular Formular: C10H20N2
• Molecular Mass: 168.2792
• Monoisotopic Mass: 168.16264865
• SMILES: C(N(CCCC)CCCC)C#N
• Canonical SMILES: CCCCN(CC#N)CCCC
• InChI: InChI=1S/C10H20N2/c1-3-5-8-12(10-7-11)9-6-4-2/h3-6,8-10H2,1-2H3
• InChIKey: ZPVXOYNIUUYGQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dibutylamino)acetonitrile
• IUPAC Traditional name: 2-(dibutylamino)acetonitrile
• Synonyms: (Di-n-butylamino)acetonitrile; DI-n-BUTYLAMINOACETONITRILE

Database IDs

• CAS Number: 18071-38-0
• MDL Number: MFCD00019825
• PubChem SID: 160973994
• PubChem CID: 87443

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.3783017
• LogD (pH = 7.4): 2.32766
• Log P: 2.3738997
• Molar Refractivity: 52.7992 cm^3
• Polarizability: 20.530266 Å^3
• Polar Surface Area: 27.03 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%

DETAILS

MP Biomedicals - 05204972

MP Biomedicals Rare Chemical collection