trimethylamine hydrochloride

• ChemBase ID: 139780
• Molecular Formular: C3H10ClN
• Molecular Mass: 96.5646089
• Monoisotopic Mass: 96.0472119
• SMILES: C[15N](C)C.Cl
• Canonical SMILES: C[15N](C)C.Cl
• InChI: InChI=1S/C3H9N.ClH/c1-4(2)3;/h1-3H3;1H/i4+1
• InChIKey: SZYJELPVAFJOGJ-VZHAHHFWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethylamine hydrochloride
• IUPAC Traditional name: trimethylamine hydrochloride
• Synonyms: Trimethylamine-15N hydrochloride; 三甲胺-15N 盐酸盐

Database IDs

• MDL Number: MFCD00084245
• PubChem SID: 162234028
• PubChem CID: 71310333

CALCULATED PROPERTIES

• 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
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -3.208248
• LogD (pH = 7.4): -1.966536

PROPERTIES

Physical Property

• Melting Point: 283-284 °C (dec.)(lit.)
• Mass Shift: M+1

Safety Information

• German water hazard class: 1

Product Information

• Isotopic Purity: 98 atom % 15N
• Mol. Weight: mol wt 96.55 by atom % calculation
• Linear Formula: (CH3)315N· HCl

DETAILS

Sigma Aldrich - 608831

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.