trimethylamine

• ChemBase ID: 136541
• Molecular Formular: C3H9N
• Molecular Mass: 60.1036689
• Monoisotopic Mass: 60.07053419
• SMILES: C[15N](C)C
• Canonical SMILES: C[15N](C)C
• InChI: InChI=1S/C3H9N/c1-4(2)3/h1-3H3/i4+1
• InChIKey: GETQZCLCWQTVFV-AZXPZELESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethylamine
• IUPAC Traditional name: trimethylamine
• Synonyms: Trimethyl-d9-amine-15N; Trimethylamine-15N; 三甲胺-15N

Database IDs

• CAS Number: 25756-36-9
• MDL Number: MFCD19687037; MFCD00190535
• PubChem SID: 162230811; 24872620
• PubChem CID: 16213488

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.)
• Boiling Point: 3-4 °C(lit.)
• Flash Point: 19.4 °F; 21.2 °F; -6 °C; -7 °C
• Auto Ignition Point: 374 °F
• Density: 0.647 g/mL at 25 °C(lit.)
• Vapor Pressure: 13.3 psi ( 0 °C)
• Vapor Density: 2.09 (vs air)
• Mass Shift: M+1; M+10

Safety Information

• European Hazard Symbols: Highly flammable (F+); Harmful (Xn)
• UN Number: 1083
• German water hazard class: 2
• Hazard Class: 2.1
• Risk Statements: 12-20-37/38-41
• Safety Statements: 16-26-39
• GHS Pictograms: GHS02; GHS04; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H220-H280-H315-H318-H332-H335
• GHS Precautionary statements: P210-P261-P280-P305 + P351 + P338-P410 + P403
• RID/ADR: UN 1083 2.1

Product Information

• Purity: 98% (CP)
• Isotopic Purity: 98 atom % 15N; 99 atom % D
• Mol. Weight: mol wt 69.05 by atom % calculation
• Linear Formula: (CD3)315N; (CH3)315N

DETAILS

Sigma Aldrich - 699586

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 - 490946

Packaging
1 g in Sure-Pac™
Sure/Pac™ cylinder with SS 1/4" male NPT 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 hose adapter Z146838 or stainless steel body mini gas regulator Z513547 is recommended.
Legal Information
Sure/Pac is a trademark of Sigma-Aldrich Co. LLC