methylbis(propan-2-yl)amine

• ChemBase ID: 10742
• Molecular Formular: C7H17N
• Molecular Mass: 115.21658
• Monoisotopic Mass: 115.13609955
• SMILES: N(C)(C(C)C)C(C)C
• Canonical SMILES: CC(N(C(C)C)C)C
• InChI: InChI=1S/C7H17N/c1-6(2)8(5)7(3)4/h6-7H,1-5H3
• InChIKey: ISRXMEYARGEVIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methylbis(propan-2-yl)amine
• IUPAC Traditional name: diisopropyl(methyl)amine
• Synonyms: DIISOPROPYLMETHYLAMINE; N-Methyldiisopropylamine; N,N-Diisopropylmethylamine; N-Methyldiisopropylamine; N-甲基二异丙胺; N,N-二异丙基甲胺

Database IDs

• CAS Number: 10342-97-9
• MDL Number: MFCD00048281
• Beilstein Number: 1731609
• PubChem SID: 160974049; 24863660
• PubChem CID: 547370

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -1.7500728
• LogD (pH = 7.4): -1.199452
• Log P: 1.7369354
• Molar Refractivity: 38.3229 cm^3
• Polarizability: 15.189125 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 114°C
• Flash Point: 10 °C; 50 °F
• Density: 0.754 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.411(lit.)

Safety Information

• Storage Warning: CORROSIVE
• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2733
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-34
• Safety Statements: 16-26-36/37/39-45
• TSCA Listed: false
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H314
• 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 2733 3/PG 2

Product Information

• Purity: ≥98.0% (GC); 98%
• Linear Formula: [(CH3)2CH]2NCH3

DETAILS

MP Biomedicals - 05210030

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 38431

Packaging
10 mL in glass bottle