trimethylazanium chloride

• ChemBase ID: 301966
• Molecular Formular: C3H10ClN
• Molecular Mass: 95.5712
• Monoisotopic Mass: 95.05017701
• SMILES: C[NH+](C)C.[Cl-]
• Canonical SMILES: C[NH+](C)C.[Cl-]
• InChI: InChI=1S/C3H9N.ClH/c1-4(2)3;/h1-3H3;1H
• InChIKey: SZYJELPVAFJOGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethylazanium chloride
• IUPAC Traditional name: trimethylammonium chloride
• Synonyms: Trimethylamine hydrochloride; 三甲基胺盐酸盐

Database IDs

• CAS Number: 593-81-7
• EC Number: 209-810-0
• MDL Number: MFCD00012478
• Beilstein Number: 3905063
• Merck Index: 149710

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 1
• LogD (pH = 5.5): -3.208248
• LogD (pH = 7.4): -1.966536
• Log P: 0.19016947
• Molar Refractivity: 31.005 cm^3
• Polarizability: 7.725861 Å^3
• Polar Surface Area: 4.44 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: ca 280°C dec.

Safety Information

• Storage Warning: Hygroscopic
• RTECS: YH2700000
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 98%