bis(2-methylpropyl)amine

• ChemBase ID: 106956
• Molecular Formular: C8H19N
• Molecular Mass: 129.24316
• Monoisotopic Mass: 129.15174961
• SMILES: CC(C)CNCC(C)C
• Canonical SMILES: CC(CNCC(C)C)C
• InChI: InChI=1S/C8H19N/c1-7(2)5-9-6-8(3)4/h7-9H,5-6H2,1-4H3
• InChIKey: NJBCRXCAPCODGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(2-methylpropyl)amine
• IUPAC Traditional name: diisobutylamine
• Synonyms: DIISOBUTYLAMINE; Diisobutylamine; 二异丁胺

Database IDs

• CAS Number: 110-96-3
• EC Number: 203-819-3
• MDL Number: MFCD00008930
• Beilstein Number: 1209251
• PubChem SID: 162093472; 24848204
• PubChem CID: 8085

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.9440572
• LogD (pH = 7.4): -0.7970738
• Log P: 2.295728
• Molar Refractivity: 42.1818 cm^3
• Polarizability: 17.036163 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -77 °C(lit.); -77°C; -77°C
• Boiling Point: 137°C; 137-139 °C(lit.); 137-139°C
• Flash Point: 30 °C; 30°C(86°F); 86 °F
• Density: 0.74 g/mL at 25 °C(lit.); 0.744; 0.745 g/ml
• Refractive Index: 1.4090; n20/D 1.4081(lit.); n20/D 1.409

Safety Information

• Storage Warning: Air Sensitive
• RTECS: TX1750000
• European Hazard Symbols: Corrosive (C); Flammable (F); X
• UN Number: 2361; UN2361
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10-22-34; R:10-22-34
• Safety Statements: 20-23-26-36/37/39-45; 26-36/37/39-45; S:16-26-27/28-36/37/39-46-64
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H301-H314; H301-H314-H318-H226
• GHS Precautionary statements: P210-P301+P310-P303+P361+P353-P305+P351+P338-P405-P501A; P280-P301 + P310-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 2361 3/PG 3

Product Information

• Purity: ≥98.0% (GC); 99%
• Grade: purum
• Linear Formula: (CH3)2CHCH2NHCH2CH(CH3)2

DETAILS

MP Biomedicals - 05202032

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 135186

Packaging
1 L in glass bottle
250 mL in glass bottle