tris(3-methylbutyl)amine

• ChemBase ID: 112036
• Molecular Formular: C15H33N
• Molecular Mass: 227.42922
• Monoisotopic Mass: 227.26130006
• SMILES: CC(C)CCN(CCC(C)C)CCC(C)C
• Canonical SMILES: CC(CCN(CCC(C)C)CCC(C)C)C
• InChI: InChI=1S/C15H33N/c1-13(2)7-10-16(11-8-14(3)4)12-9-15(5)6/h13-15H,7-12H2,1-6H3
• InChIKey: QKVUSSUOYHTOFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(3-methylbutyl)amine
• IUPAC Traditional name: tris(3-methylbutyl)amine
• Synonyms: TRIISOAMYLAMINE; Triisoamylamine; Triisopentylamine; 三(3-甲基丁基)胺; 三异戊基胺

Database IDs

• CAS Number: 645-41-0
• EC Number: 211-441-5
• MDL Number: MFCD00015054
• Beilstein Number: 1720767
• PubChem SID: 162097295; 24889598
• PubChem CID: 69525

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.5265777
• LogD (pH = 7.4): 1.8066982
• Log P: 5.022924
• Molar Refractivity: 75.2547 cm^3
• Polarizability: 29.96544 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 265-270 °C(lit.)
• Flash Point: 170.6 °F; 77 °C
• Density: 0.782 g/mL at 20 °C(lit.); 0.79 g/ml
• Refractive Index: n20/D 1.433

Safety Information

• European Hazard Symbols: Corrosive (C); Irritant (Xi)
• UN Number: 2735
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 3
• Risk Statements: 34; R:36/37/38
• Safety Statements: 26-36/37/39-45; S:20-25-26-37/39
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: 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 2735 8/PG 3

Product Information

• Purity: ≥90% (GC); ≥95%; ≥95.0% (GC)
• Grade: technical
• Impurities: ≤1.0% water
• Linear Formula: [(CH3)2CHCH2CH2]3N

DETAILS

MP Biomedicals - 05222273

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 712094

Packaging
25 g in glass bottle

Sigma Aldrich - 92040

Packaging
25 mL in glass bottle