chloro(2H); methyl(2H2)amine

• ChemBase ID: 139085
• Molecular Formular: CH6ClN
• Molecular Mass: 67.51804
• Monoisotopic Mass: 67.01887688
• SMILES: NC.Cl
• Canonical SMILES: CN.Cl
• InChI: InChI=1S/CH5N.ClH/c1-2;/h2H2,1H3;1H
• InChIKey: NQMRYBIKMRVZLB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: chloro(^2H); methyl(^2H₂)amine
• IUPAC Traditional name: chloro(^2H); methyl(^2H₂)amine
• Synonyms: Methylammonium-d3 chloride; Methylamine-d2 deuteriochloride; 盐酸甲胺-d3; 甲胺-d2 氯化氘

Database IDs

• CAS Number: 14779-52-3
• EC Number: 238-847-5
• MDL Number: MFCD00044226
• PubChem SID: 162233335; 24850542
• PubChem CID: 2723973

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -3.6464596
• LogD (pH = 7.4): -3.147669
• Log P: -0.62545884
• Molar Refractivity: 9.9188 cm^3
• Polarizability: 4.106978 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 233-235 °C (dec.)(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
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338

Product Information

• Isotopic Purity: ≥98 atom % D
• Linear Formula: CH3ND2·DCl

DETAILS

Sigma Aldrich - 175994

Packaging
1 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.