bis(propan-2-yl)amine

• ChemBase ID: 135388
• Molecular Formular: C6H15N
• Molecular Mass: 102.1834089
• Monoisotopic Mass: 102.11748438
• SMILES: CC(C)[15NH]C(C)C
• Canonical SMILES: CC([15NH]C(C)C)C
• InChI: InChI=1S/C6H15N/c1-5(2)7-6(3)4/h5-7H,1-4H3/i7+1
• InChIKey: UAOMVDZJSHZZME-CDYZYAPPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(propan-2-yl)amine
• IUPAC Traditional name: diisopropylamine
• Synonyms: Diisopropylamine-15N; 二异丙胺-15N

Database IDs

• MDL Number: MFCD04118241
• PubChem SID: 162229662
• PubChem CID: 12202993

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.8835524
• LogD (pH = 7.4): -1.6228405
• Log P: 1.3538874
• Molar Refractivity: 33.0282 cm^3
• Polarizability: 13.342089 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 84 °C
• Density: 0.722 g/mL at 25 °C
• Mass Shift: M+1

Product Information

• Isotopic Purity: 98 atom % 15N
• Mol. Weight: mol wt 102.18 by atom % calculation
• Linear Formula: [(CH3)2CH]215NH

DETAILS

Sigma Aldrich - 609560

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.