cyanobis(propan-2-yl)amine

• ChemBase ID: 107785
• Molecular Formular: C7H14N2
• Molecular Mass: 126.19946
• Monoisotopic Mass: 126.11569846
• SMILES: CC(C)N(C#N)C(C)C
• Canonical SMILES: CC(N(C(C)C)C#N)C
• InChI: InChI=1S/C7H14N2/c1-6(2)9(5-8)7(3)4/h6-7H,1-4H3
• InChIKey: DGCUISYKMONQDH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyanobis(propan-2-yl)amine
• IUPAC Traditional name: cyanodiisopropylamine
• Synonyms: DIISOPROPYLCYANAMIDE

Database IDs

• CAS Number: 3085-76-5
• EC Number: 221-401-9
• PubChem SID: 162093574
• PubChem CID: 76520

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7174519
• LogD (pH = 7.4): 1.7174519
• Log P: 1.7174519
• Molar Refractivity: 39.2818 cm^3
• Polarizability: 14.599329 Å^3
• Polar Surface Area: 27.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05205040

MP Biomedicals Rare Chemical collection