(2H3)methyl(methyl)amine hydrochloride

• ChemBase ID: 146247
• 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

• IUPAC name: (^2H₃)methyl(methyl)amine hydrochloride
• IUPAC Traditional name: (^2H₃)methyl(methyl)amine hydrochloride
• Synonyms: Dimethyl-1,1,1-d3-amine hydrochloride; 二甲基-1,1,1-d3-胺 盐酸盐

Database IDs

• CAS Number: 120033-84-3
• MDL Number: MFCD01321397
• PubChem SID: 24872179; 162240446
• PubChem CID: 16213327

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

• Melting Point: 170-173 °C(lit.)
• Mass Shift: M+3

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36

Product Information

• Isotopic Purity: 98 atom % D
• Mol. Weight: mol wt 84.51 by atom % calculation
• Linear Formula: CH3NHCD3 · HCl

DETAILS

Sigma Aldrich - 486531

Packaging
2.5 g in glass bottle
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.