(2H3)methyl(2H2)amine; chloro(2H)

• ChemBase ID: 139064
• Molecular Formular: CH6ClN
• Molecular Mass: 67.51804
• Monoisotopic Mass: 67.01887688
• SMILES: CN.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: (^2H₃)methyl(^2H₂)amine; chloro(^2H)
• IUPAC Traditional name: (^2H₃)methyl(^2H₂)amine; chloro(^2H)
• Synonyms: Methylammonium-d6 chloride; Methylamine-d5 deuteriochloride; 甲胺-d5 氯化氘; 盐酸甲胺-d6

Database IDs

• CAS Number: 14779-55-6
• MDL Number: MFCD00058373
• PubChem SID: 24850544; 162233315
• PubChem CID: 2723976

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: 232-234 °C(lit.)
• Mass Shift: M+6

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
• Mol. Weight: mol wt 73.43 by atom % calculation
• Linear Formula: CD3ND2·DCl

DETAILS

Sigma Aldrich - 176028

Packaging
1 g in glass bottle
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