(2H3)methanamine hydrochloride

• ChemBase ID: 151284
• 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)methanamine hydrochloride
• IUPAC Traditional name: (^2H₃)methanamine hydrochloride
• Synonyms: Methyl-d3-ammonium chloride; Methyl-d3-amine hydrochloride; 甲基-d3-氯化铵; 甲基-d3-胺 盐酸盐

Database IDs

• CAS Number: 7436-22-8
• EC Number: 231-089-6
• MDL Number: MFCD00064559
• PubChem SID: 24850543; 162245440
• PubChem CID: 2723974

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+3

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Isotopic Purity: 99 atom % D
• Mol. Weight: mol wt 70.51 by atom % calculation
• Linear Formula: CD3NH2·HCl

DETAILS

Sigma Aldrich - 176001

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.