bis[(3,3,3-2H3)propyl]amine

• ChemBase ID: 134933
• Molecular Formular: C6H15N
• Molecular Mass: 101.19
• Monoisotopic Mass: 101.12044949
• SMILES: CCCNCCC
• Canonical SMILES: CCCNCCC
• InChI: InChI=1S/C6H15N/c1-3-5-7-6-4-2/h7H,3-6H2,1-2H3
• InChIKey: WEHWNAOGRSTTBQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis[(3,3,3-^2H₃)propyl]amine
• IUPAC Traditional name: bis(3,3,3-^2H₃)propylamine
• Synonyms: Di(propyl-3,3,3-d3)amine; 二正丙胺-3,3,3-d3

Database IDs

• MDL Number: MFCD04118267
• PubChem SID: 162229208
• PubChem CID: 71308988

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.6721437
• LogD (pH = 7.4): -1.4326271
• Log P: 1.5657822
• Molar Refractivity: 33.2386 cm^3
• Polarizability: 13.342089 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 105-110 °C(lit.)
• Mass Shift: M+6

Product Information

• Purity: 97% (CP)
• Isotopic Purity: 98 atom % D
• Mol. Weight: mol wt 107.11 by atom % calculation
• Linear Formula: (CD3CH2CH2)2NH

DETAILS

Sigma Aldrich - 615196

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.