tris(13C)methylamine hydrochloride

• ChemBase ID: 136413
• Molecular Formular: C3H10ClN
• Molecular Mass: 99.54257341
• Monoisotopic Mass: 99.05727641
• SMILES: [13CH3][15N]([13CH3])[13CH3].Cl
• Canonical SMILES: [13CH3][15N]([13CH3])[13CH3].Cl
• InChI: InChI=1S/C3H9N.ClH/c1-4(2)3;/h1-3H3;1H/i1+1,2+1,3+1,4+1
• InChIKey: SZYJELPVAFJOGJ-UJNKEPEOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(^1^3C)methylamine hydrochloride
• IUPAC Traditional name: tris(^1^3C)methylamine hydrochloride
• Synonyms: Trimethylammonium-13C3,15N chloride; Trimethylamine-13C3,15N hydrochloride

Database IDs

• MDL Number: MFCD19704758
• PubChem SID: 162230683
• PubChem CID: 71309789

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -3.208248
• LogD (pH = 7.4): -1.966536
• Log P: 0.19016947
• Molar Refractivity: 19.9881 cm^3
• Polarizability: 7.800994 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 283-284 °C (dec)(lit.)
• Mass Shift: M+4

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• 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: 98 atom % 15N; 99 atom % 13C
• Mol. Weight: mol wt 99.49 by atom % calculation
• Linear Formula: (13CH3)315N HCl

DETAILS

Sigma Aldrich - 730092

Packaging
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.