2-methylpropan-1-amine

• ChemBase ID: 104197
• Molecular Formular: C4H11N
• Molecular Mass: 73.13684
• Monoisotopic Mass: 73.08914936
• SMILES: CC(C)CN
• Canonical SMILES: NCC(C)C
• InChI: InChI=1S/C4H11N/c1-4(2)3-5/h4H,3,5H2,1-2H3
• InChIKey: KDSNLYIMUZNERS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylpropan-1-amine
• IUPAC Traditional name: isobutylamine
• Synonyms: 2-methylpropan-1-amine; 1-Amino-2-methylpropane; ISOBUTYLAMINE; Isobutylamine; 1-氨基-2-甲基丙烷; 异丁胺

Database IDs

• CAS Number: 78-81-9
• EC Number: 201-145-4
• MDL Number: MFCD00008146
• Beilstein Number: 385626
• Merck Index: 145132
• PubChem SID: 162092469; 24881092; 24881093; 24901989; 24895931
• PubChem CID: 6558
• CHEBI ID: 15997
• Chemspider ID: 6310
• FEMA ID: 4239
• Gmelin ID: 81862
• KEGG ID: C02787
• MeSH Name: isobutylamine
• Unique Ingredient Identifier: 1H60H4LOHZ
• Wikipedia Title: Isobutylamine
• Flavis Number: 11.002

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.405768
• LogD (pH = 7.4): -2.0045729
• Log P: 0.61884433
• Molar Refractivity: 23.663 cm^3
• Polarizability: 9.648022 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Miscible in water
• Apperance: Colorless liquid
• Melting Point: -85 °C (-121 °F); -85 °C(lit.); -85°C; -86.65°C (186.5K)
• Boiling Point: 64-71 °C(lit.); 66.85 - 68.85°C (340 - 342 K); 67-69°C; 68-69 °C (154.4 -156.2 °F)
• Flash Point: 15.8 °F; -20.5°C; -9 °C; -9°C(15°F)
• Auto Ignition Point: 378 °C (712 °F)
• Density: 0.72 at 25 °C (water = 1); 0.736; 0.736 g/mL at 25 °C(lit.); 736 mg mL^-1
• Refractive Index: 1.397; 1.3970; n20/D 1.397; n20/D 1.397(lit.)
• Vapor Pressure: 13.33 kPa (100 mm Hg) at 19 °C
• Vapor Density: 2.5 (air = 1)
• Viscosity: 500 μPa s (at 20 °C)
• Odor: Fishy, ammoniacal
• Heat Capacity: 194 J K^-1 mol^-1
• Std enthalpy of combustion: -3.0139–-3.0131 MJ mol^-1
• Std enthalpy of formation: -133.0–-132.0 kJ mol^-1

Safety Information

• Storage Condition: 2-8°C
• RTECS: NP9900000
• European Hazard Symbols: Corrosive (C); Flammable (F); X; Harmful (Xn)
• UN Number: 1214; UN1214
• German water hazard class: 3
• Hazard Class: 3; 8
• Packing Group: 2; II
• Australian Hazchem: 2WE
• Risk Statements: 11-22-34; 11-22-35; R:11-22; R11, R22, R35
• Safety Statements: 26-36/37/39-45; 7-20-26-33-36/37/39-43-45-60; S:9-16-36/37/39; S26, S36/37/39, S45
• EU Classification: FC
• EU Hazard Identification Number: 8A
• Emergency Response Guidebook(ERG) Number: 132
• TSCA Listed: 是
• GHS Pictograms: GHS corrosion; GHS flame; GHS skull and crossbones; GHS02; GHS05; GHS06
• GHS Signal Word: DANGER; Danger
• LD50: 224 mg kg^-1 (oral, rat)
• GHS Hazard statements: 225, 301, 314; H225-H301-H314; H225-H301-H314-H318
• GHS Precautionary statements: 210, 280, 301+310, 305+351+338, 310; P210-P280-P301 + P310-P305 + P351 + P338-P310; P210-P301+P310-P303+P361+P353-P305+P351+P338-P405-P501A
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1214 3/PG 2

Product Information

• Purity: ≥98.0% (GC); ≥99.5% (GC); 99%
• Grade: NI; puriss.; purum
• Impurities: ≤0.3% water; ≤1% water
• Linear Formula: (CH3)2CHCH2NH2

DETAILS

MP Biomedicals - 02155083

(1-Amino-2-methylpropane) 1 ml = approx. 0.74 g

Sigma Aldrich - I14150

Packaging
1 L in glass bottle
5, 100, 500 mL in glass bottle