trimethylamine hydrochloride

• ChemBase ID: 102807
• Molecular Formular: C3H10ClN
• Molecular Mass: 95.5712
• Monoisotopic Mass: 95.05017701
• SMILES: Cl.CN(C)C
• Canonical SMILES: CN(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: trimethylamine hydrochloride
• IUPAC Traditional name: trimethylamine hydrochloride
• Synonyms: Trimethylammonium chloride; TRIMETHYLAMINE HYDROCHLORIDE; Trimethylamine hydrochloride; Additive Screening Solution 41/Fluka kit no 78374; Trimethylamine hydrochloride solution; Trimethylamine hydrochloride 0.1 M solution; 三甲胺盐酸盐; 三甲胺 盐酸盐

Database IDs

• CAS Number: 593-81-7
• EC Number: 209-810-0
• MDL Number: MFCD00012478
• Beilstein Number: 3905063
• PubChem SID: 24883560; 24900442; 24889630; 162091266
• PubChem CID: 10313079

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: 1 - 8 °C; -118 - -117°C; 283-284 °C (dec.)(lit.)
• Boiling Point: 130 °C
• Auto Ignition Point: 275 °C (DIN 51794)
• Density: 1.03 g/cm^3 at 20 °C
• Vapor Pressure: ca. 8 hPa at 20 °C
• Hydrophobicity(logP): 0.0

Safety Information

• Storage Condition: Room Temperature (15-30°C), Desiccate
• RTECS: YH2700000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1; nwg
• Risk Statements: 36-38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319
• GHS Precautionary statements: P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves; Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98.0% (calc. based on dry substance, AT); 95%; 98%
• Grade: purum
• Impurities: ≤3% water
• Linear Formula: (CH3)3N · HCl

DETAILS

MP Biomedicals - 02103119

Hydrochloride
Crystalline

Sigma Aldrich - T72761

Packaging
25, 100, 500 g in poly bottle