tris(13C)methylamine hydrochloride

• ChemBase ID: 134729
• Molecular Formular: C3H10ClN
• Molecular Mass: 98.54916451
• Monoisotopic Mass: 98.06024152
• SMILES: [13CH3]N([13CH3])[13CH3].Cl
• Canonical SMILES: [13CH3]N([13CH3])[13CH3].Cl
• InChI: InChI=1S/C3H9N.ClH/c1-4(2)3;/h1-3H3;1H/i1+1,2+1,3+1
• InChIKey: SZYJELPVAFJOGJ-HCULJTSZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(^1^3C)methylamine hydrochloride
• IUPAC Traditional name: tris(^1^3C)methylamine hydrochloride
• Synonyms: Trimethyl-13C3-amine hydrochloride; 三甲基-13C3-胺 盐酸盐

Database IDs

• CAS Number: 286013-00-1
• MDL Number: MFCD00190372
• PubChem SID: 162229005
• PubChem CID: 71308883

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+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 % 13C
• Mol. Weight: mol wt 98.53 by atom % calculation
• Linear Formula: (13CH3)3N·HCl

DETAILS

Sigma Aldrich - 591599

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.