methyl(propan-2-yl)amine

• ChemBase ID: 107929
• Molecular Formular: C4H11N
• Molecular Mass: 73.13684
• Monoisotopic Mass: 73.08914936
• SMILES: CNC(C)C
• Canonical SMILES: CNC(C)C
• InChI: InChI=1S/C4H11N/c1-4(2)5-3/h4-5H,1-3H3
• InChIKey: XHFGWHUWQXTGAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl(propan-2-yl)amine
• IUPAC Traditional name: 2-propanamine, N-methyl-
• Synonyms: METHYLISOPROPYLAMINE; N-Methylisopropylamine; N-Isopropylmethylamine; 2-(Methylamino)propane; Isopropylmethylamine; N,1-dimethyl-Ethylamine; N-methyl-Isopropylamine; Methylisopropylamine; N-Methyl-N-(1-methylethyl)amine; NSC 1065; N-Isopropyl-N-methylamine; N-甲基异丙胺; N-异丙基甲胺

Database IDs

• CAS Number: 4747-21-1
• EC Number: 225-266-7
• MDL Number: MFCD00042859
• Beilstein Number: 1730877
• PubChem SID: 24881606; 162088811; 24862072
• PubChem CID: 78485

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.655346
• LogD (pH = 7.4): -2.3319154
• Log P: 0.58050454
• Molar Refractivity: 23.8608 cm^3
• Polarizability: 9.648022 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; DMSO; Methanol
• Apperance: Clear Colorless Liquid
• Boiling Point: 50-53 °C(lit.)
• Flash Point: -25.6 °F; -32 °C
• Density: 0.702 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.384; n20/D 1.384(lit.)
• Vapor Pressure: 4.15 psi ( 20 °C)

Safety Information

• Storage Condition: Refrigerator, Under Inert Atmosphere
• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2734
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 1
• Risk Statements: 11-34
• Safety Statements: 16-26-36/37/39-45
• 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)
• RID/ADR: UN 2734 8/PG 1

Product Information

• Purity: ≥98.0% (GC); 98%
• Grade: purum
• Linear Formula: (CH3)2CHNHCH3

DETAILS

Sigma Aldrich - 359378

Packaging
5, 10, 50 mL in ampule