chloro(2H); tris(2H3)methylamine

• ChemBase ID: 134735
• 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: chloro(^2H); tris(^2H₃)methylamine
• IUPAC Traditional name: chloro(^2H); tris(^2H₃)methylamine
• Synonyms: Trimethyl-d9-amine deuteriochloride; 三甲基-d9-胺 氯化氘

Database IDs

• CAS Number: 107766-37-0
• MDL Number: MFCD00145459
• PubChem SID: 162229011
• PubChem CID: 71308888

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+10

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: 98 atom % D
• Mol. Weight: mol wt 105.43 by atom % calculation
• Linear Formula: (CD3)3N·DCl

DETAILS

Sigma Aldrich - 591718

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.