(13C,2H3)methanamine hydrochloride

• ChemBase ID: 147704
• Molecular Formular: CH6ClN
• Molecular Mass: 68.51069484
• Monoisotopic Mass: 68.02223172
• SMILES: [13CH3]N.Cl
• Canonical SMILES: [13CH3]N.Cl
• InChI: InChI=1S/CH5N.ClH/c1-2;/h2H2,1H3;1H/i1+1
• InChIKey: NQMRYBIKMRVZLB-YTBWXGASSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^1^3C,^2H₃)methanamine hydrochloride
• IUPAC Traditional name: (^1^3C,^2H₃)methanamine hydrochloride
• Synonyms: Methyl-13C,d3-amine hydrochloride; 甲基-13C,d3-胺 盐酸盐

Database IDs

• CAS Number: 104809-19-0
• MDL Number: MFCD00064558
• PubChem SID: 162241889; 24857830
• PubChem CID: 16211879

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+4

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

Product Information

• Isotopic Purity: 99 atom % 13C; 99.5 atom % D
• Linear Formula: 13CD3NH2·HCl

DETAILS

Sigma Aldrich - 296007

Packaging
1 g in glass bottle
250 mg 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.