bis(13C)methylamine hydrochloride

• ChemBase ID: 145236
• Molecular Formular: C2H8ClN
• Molecular Mass: 83.52992968
• Monoisotopic Mass: 83.04123662
• SMILES: [13CH3]N[13CH3].Cl
• Canonical SMILES: [13CH3]N[13CH3].Cl
• InChI: InChI=1S/C2H7N.ClH/c1-3-2;/h3H,1-2H3;1H/i1+1,2+1
• InChIKey: IQDGSYLLQPDQDV-AWQJXPNKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(^1^3C)methylamine hydrochloride
• IUPAC Traditional name: bis(^1^3C)methylamine hydrochloride
• Synonyms: Dimethylamine-13C2 hydrochloride; 二甲胺-13C2 盐酸盐

Database IDs

• CAS Number: 286012-99-5
• MDL Number: MFCD00083939
• PubChem SID: 24872732; 162239445
• PubChem CID: 16213551

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+2

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• 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: 99 atom % 13C
• Mol. Weight: mol wt 83.53 by atom % calculation
• Linear Formula: (13CH3)2NH · HCl

DETAILS

Sigma Aldrich - 492264

Packaging
500 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.