• ChemBase ID: 134936
• Molecular Formular: C2H8ClN
• Molecular Mass: 81.54462
• Monoisotopic Mass: 81.03452694
• SMILES: CNC.Cl
• Canonical SMILES: CNC.Cl
• InChI: InChI=1S/C2H7N.ClH/c1-3-2;/h3H,1-2H3;1H
• InChIKey: IQDGSYLLQPDQDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• Synonyms: Dimethylamine-d7 deuteriochloride; 二甲胺-d7 氯化氘

Database IDs

• MDL Number: MFCD04118250
• PubChem SID: 162229211
• PubChem CID: 71308991

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -3.427765
• LogD (pH = 7.4): -3.0703833
• Log P: -0.19287847
• Molar Refractivity: 14.6934 cm^3
• Polarizability: 5.9539757 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Mass Shift: M+8

Product Information

• Isotopic Purity: 98 atom % D
• Mol. Weight: mol wt 89.43 by atom % calculation
• Linear Formula: (CD3)2ND · DCl

DETAILS

Sigma Aldrich - 613649

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.