tris(prop-2-en-1-yl)amine

• ChemBase ID: 145162
• Molecular Formular: C9H15N
• Molecular Mass: 137.2221
• Monoisotopic Mass: 137.12044949
• SMILES: C=CCN(CC=C)CC=C
• Canonical SMILES: C=CCN(CC=C)CC=C
• InChI: InChI=1S/C9H15N/c1-4-7-10(8-5-2)9-6-3/h4-6H,1-3,7-9H2
• InChIKey: VPYJNCGUESNPMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(prop-2-en-1-yl)amine
• IUPAC Traditional name: triallylamine
• Synonyms: Triallylamine; 三烯丙基胺

Database IDs

• CAS Number: 102-70-5
• EC Number: 203-048-2
• MDL Number: MFCD00026093
• PubChem SID: 162239372; 24900211
• PubChem CID: 7617

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.283244
• LogD (pH = 7.4): 1.4905765
• Log P: 2.383919
• Molar Refractivity: 47.4762 cm^3
• Polarizability: 18.198633 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -70°C
• Boiling Point: 150-151 °C(lit.); 150-151°C
• Flash Point: 31 °C; 31°C(87°F); 87.8 °F
• Density: 0.79; 0.79 g/mL at 25 °C(lit.)
• Refractive Index: 1.451; n20/D 1.451(lit.)
• Vapor Pressure: 90 mmHg ( 80 °C)
• Vapor Density: 4.73 (vs air)

Safety Information

• RTECS: XX5950000
• European Hazard Symbols: Corrosive (C); Toxic (T)
• UN Number: 2610; UN2610
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10-20/21/22-34; 10-20/22-24-34
• Safety Statements: 16-26-36/37/39-45; 26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H302-H312-H314-H331; H301-H310-H332-H314-H318-H226
• GHS Precautionary statements: P210-P301+P310-P303+P361+P353-P305+P351+P338-P361-P405-P501A; P261-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 2610 3/PG 3

Product Information

• Purity: 98%; 99%
• Linear Formula: (H2C=CHCH2)3N

DETAILS

Sigma Aldrich - T45004

Packaging
1 L in glass bottle
5, 250 mL in glass bottle