tris(2H3)methylamine hydrochloride

• ChemBase ID: 139709
• Molecular Formular: C3H10ClN
• Molecular Mass: 95.5712
• Monoisotopic Mass: 95.05017701
• SMILES: CN(C)C.Cl
• 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: tris(^2H₃)methylamine hydrochloride
• IUPAC Traditional name: tris(^2H₃)methylamine hydrochloride
• Synonyms: Trimethyl-d9-amine hydrochloride; N,N-Dimethylmethanamine-d9 Hydrochloride; Trimethylamine-d9 Hydrochloride; 三甲基-d9-胺 盐酸盐

Database IDs

• CAS Number: 18856-86-5
• MDL Number: MFCD00190508
• PubChem SID: 162233957
• PubChem CID: 71310292

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

• Solubility: Methanol
• Apperance: White Solid
• Melting Point: 282-284°C; 283-284 °C(lit.)
• Mass Shift: M+9

Safety Information

• Storage Condition: Refrigerator
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26
• 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 % D
• Mol. Weight: mol wt 104.54 by atom % calculation
• Linear Formula: (CD3)3N · HCl

DETAILS

Sigma Aldrich - 613843

Packaging
5 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.

Toronto Research Chemicals - T795807

Labelled Trimethylamine. Trimethylamine is a versatile building block used in the synthesis of various compounds ranging from cholines, plant growth regulators, strongly basic anion exchange resins, dye leveling agents as well as a number of basic dyes.

REFERENCES

• Miroshnichenko, E.A. et al.: Zhur. Obshch. Khim., 63, 2375 (1993)
• Liu, X. et al.: Jiang. HUag., 33, 173 (1993)
• Xu, J. et al.: Color. Technol., 120, 316 (1993)