tris(2-methylpropyl)amine

• ChemBase ID: 147912
• Molecular Formular: C12H27N
• Molecular Mass: 185.34948
• Monoisotopic Mass: 185.21434987
• SMILES: CC(C)CN(CC(C)C)CC(C)C
• Canonical SMILES: CC(CN(CC(C)C)CC(C)C)C
• InChI: InChI=1S/C12H27N/c1-10(2)7-13(8-11(3)4)9-12(5)6/h10-12H,7-9H2,1-6H3
• InChIKey: IIFFFBSAXDNJHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(2-methylpropyl)amine
• IUPAC Traditional name: tris(2-methylpropyl)amine
• Synonyms: Triisobutylamine; 三异丁基胺

Database IDs

• CAS Number: 1116-40-1
• EC Number: 214-236-9
• MDL Number: MFCD00040501
• Beilstein Number: 1698950
• PubChem SID: 162242093; 24863352
• PubChem CID: 14222

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.42280605
• LogD (pH = 7.4): 0.5027371
• Log P: 3.923079
• Molar Refractivity: 61.2207 cm^3
• Polarizability: 24.42432 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 192-193 °C/770 mmHg(lit.)
• Flash Point: 134.6 °F; 57 °C
• Density: 0.766 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.423(lit.)

Safety Information

• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 2929
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2
• Risk Statements: 22-23/24-38-41-51/53
• Safety Statements: 26-36/37-45-61
• GHS Pictograms: GHS02; GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H302-H311-H315-H318-H331
• GHS Precautionary statements: P261-P280-P305 + P351 + P338-P311
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2929 6.1/PG 2

Product Information

• Purity: 98%
• Linear Formula: [(CH3)2CHCH2]3N

DETAILS

Sigma Aldrich - 374989

Packaging
100 mL in glass bottle