tris(2H3)methylamine

• ChemBase ID: 134876
• Molecular Formular: C3H9N
• Molecular Mass: 59.11026
• Monoisotopic Mass: 59.07349929
• SMILES: CN(C)C
• Canonical SMILES: CN(C)C
• InChI: InChI=1S/C3H9N/c1-4(2)3/h1-3H3
• InChIKey: GETQZCLCWQTVFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(^2H₃)methylamine
• IUPAC Traditional name: tris(^2H₃)methylamine
• Synonyms: Trimethyl-d9-amine; Trimethyl-d9-ammonium-15N chloride; Trimethyl-d9-amine-15N hydrochloride; 三甲基-d9-胺; 三甲基-d9-氯化铵-15N; 三甲基-d9-胺-15N 盐酸盐

Database IDs

• CAS Number: 13960-80-0
• MDL Number: MFCD00145458
• PubChem SID: 24871978; 162229152
• PubChem CID: 16213270

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: -117 °C(lit.); 283-284 °C (dec.)(lit.)
• Boiling Point: 3-4 °C(lit.)
• Flash Point: 19.4 °F; -7 °C
• Auto Ignition Point: 374 °F
• Density: 0.734 g/mL at 25 °C(lit.)
• Vapor Pressure: 13.3 psi ( 21 °C)
• Vapor Density: 2.09 (vs air)
• Mass Shift: M+9

Safety Information

• European Hazard Symbols: Corrosive (C); Highly flammable (F+); Irritant (Xi)
• UN Number: 1083
• German water hazard class: 1; 2
• Hazard Class: 2.1
• Risk Statements: 12-20/22-34; 36/37/38
• Safety Statements: 26-36; 3-16-26-29-36/37/39-45
• GHS Pictograms: GHS02; GHS04; GHS05; GHS07
• GHS Signal Word: Danger; Warning
• GHS Hazard statements: H220-H224-H280-H302-H314-H315-H332-H335; H315-H319-H335
• GHS Precautionary statements: P210-P261-P280-P305 + P351 + P338-P310-P410 + P403; P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 1083 2.1

Product Information

• Isotopic Purity: 98 atom % 15N; 99 atom % D
• Mol. Weight: mol wt 105.51 by atom % calculation
• Linear Formula: (CD3)315N.HCl; (CD3)3N

DETAILS

Sigma Aldrich - 591815

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.

Sigma Aldrich - 486221

Packaging
5 g in steel cylinder
Lecture bottle with SS CGA 110/180 valve
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.
Recommended products
Stainless steel control valves Z146951, Z187224 or either of stainless steel regulators Z148504 and Z148512 and a "T"-purge valve Z151661 is recommended.