tris(2H5)ethylamine

• ChemBase ID: 148662
• Molecular Formular: C6H15N
• Molecular Mass: 101.19
• Monoisotopic Mass: 101.12044949
• SMILES: CCN(CC)CC
• Canonical SMILES: CCN(CC)CC
• InChI: InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3
• InChIKey: ZMANZCXQSJIPKH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(^2H₅)ethylamine
• IUPAC Traditional name: tris(^2H₅)ethylamine
• Synonyms: Triethyl-d15-amine; 三乙胺-d15

Database IDs

• CAS Number: 66688-79-7
• MDL Number: MFCD00145448
• PubChem SID: 24868447; 162242837
• PubChem CID: 16212933

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -2.2147028
• LogD (pH = 7.4): -1.4690653
• Log P: 1.2605933
• Molar Refractivity: 34.2339 cm^3
• Polarizability: 13.342089 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -115 °C(lit.)
• Boiling Point: 88.8 °C(lit.)
• Flash Point: 19.4 °F; -7 °C
• Density: 0.832 g/mL
• Refractive Index: n20/D 1.396(lit.)
• Mass Shift: M+15

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 1296
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-20/21/22-35
• Safety Statements: 3-16-26-29-36/37/39-45
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H302-H312-H314-H332
• GHS Precautionary statements: P210-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1296 3/PG 2

Product Information

• Purity: 98% (CP)
• Isotopic Purity: 98 atom % D
• Mol. Weight: mol wt 115.98 by atom % calculation
• Linear Formula: (C2D5)3N

DETAILS

Sigma Aldrich - 448982

包装
500 mg in ampule
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.