(2H7)propan-1-amine

• ChemBase ID: 135348
• Molecular Formular: C3H9N
• Molecular Mass: 59.11026
• Monoisotopic Mass: 59.07349929
• SMILES: CCCN
• Canonical SMILES: CCCN
• InChI: InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3
• InChIKey: WGYKZJWCGVVSQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^2H₇)propan-1-amine
• IUPAC Traditional name: (^2H₇)propan-1-amine
• Synonyms: Propyl-d7-amine; 丙胺-d7

Database IDs

• MDL Number: MFCD06658557
• PubChem SID: 162229622
• PubChem CID: 59248895

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.7702847
• LogD (pH = 7.4): -2.355427
• Log P: 0.25387147
• Molar Refractivity: 19.1914 cm^3
• Polarizability: 7.800994 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -83 °C
• Boiling Point: 48 °C
• Density: 0.803 g/mL at 25 °C
• Mass Shift: M+7

Product Information

• Isotopic Purity: 98 atom % D
• Mol. Weight: mol wt 60.01 by atom % calculation
• Linear Formula: CD3(CD2)2NH2

DETAILS

Sigma Aldrich - 613673

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.