2-methylpropan-2-amine

• ChemBase ID: 78134
• Molecular Formular: C4H11N
• Molecular Mass: 73.13684
• Monoisotopic Mass: 73.08914936
• SMILES: NC(C)(C)C
• Canonical SMILES: CC(N)(C)C
• InChI: InChI=1S/C4H11N/c1-4(2,3)5/h5H2,1-3H3
• InChIKey: YBRBMKDOPFTVDT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylpropan-2-amine
• IUPAC Traditional name: erbumine
• Synonyms: tert-Butylamine; 2-Amino-2-methylpropane; 2-Aminoisobutane; tert-Butylamine; Dimethylethylamine; 2-Methyl-2-aminopropane; 2-Methyl-2-propylamine; Trimethylaminomethane; 2-氨基-2-甲基丙烷; 叔丁胺; 叔丁基胺

Database IDs

• CAS Number: 75-64-9
• EC Number: 200-888-1
• MDL Number: MFCD00008050
• Beilstein Number: 605267
• Merck Index: 141545
• PubChem SID: 24864378; 162042955; 24892107
• PubChem CID: 6385
• CHEBI ID: 44639
• CHEMBL: 13782
• Chemspider ID: 6145
• Gmelin ID: 1867
• MeSH Name: tert-butylamine
• Wikipedia Title: Tert-Butylamine

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.6013281
• LogD (pH = 7.4): -2.3995833
• Log P: 0.42850077
• Molar Refractivity: 23.7244 cm^3
• Polarizability: 9.648022 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Miscible in water
• Apperance: Colorless liquid
• Melting Point: -67 °C(lit.); -67.5°C; -67.50°C (205.65K); -67°C; 98 - 100°C
• Boiling Point: 42.85 - 46.85°C (316 - 320 K); 44-46°C; 46 °C(lit.); 46°C
• Flash Point: -36.4 °F; -38 °C; -38°C(-36°F); -9°C
• Auto Ignition Point: 380 °C; 716 °F
• Density: 0.696; 0.696 g/mL; 0.696 g/mL at 25 °C(lit.); 0.6978
• Refractive Index: 1.377; 1.3780; n20/D 1.377; n20/D 1.377(lit.); n20/D 1.378
• Vapor Pressure: 39.29 kPa (at 20 °C); 5.7 psi ( 20 °C)
• Vapor Density: 2.5 (vs air)
• Partition Coefficient: 0.802
• Hydrophobicity(logP): 0.573
• Odor: fishy, ammoniacal
• Heat Capacity: 191.71 J K^-1 mol^-1
• Std enthalpy of combustion: -2.9959–-2.9951 MJ mol^-1
• Std enthalpy of formation: -151.1–-150.1 kJ mol^-1
• Std molar entropy: 233.63 J K^-1 mol^-1

Safety Information

• Storage Warning: Air Sensitive; Highly Flammable/Toxic/Air Sensitive
• RTECS: EO3330000
• European Hazard Symbols: Corrosive (C); Flammable (F); Toxic (T)
• UN Number: 3286; UN2733
• German water hazard class: 1; 3
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11-20/22-35; 11-20-25-35-52/53; R11, R20/22, R35
• Safety Statements: 16-26-36/37/39-45; 9-16-20-23-26-33-36/37/39-45-61; S16, S26, S36/37/39, S45
• TSCA Listed: 是
• GHS Pictograms: GHS corrosion; GHS flame; GHS skull and crossbones; GHS02; GHS05; GHS06
• GHS Signal Word: DANGER; Danger
• NFPA704:
  

  4

  3

  0
• LD50: 464 mg kg^-1 (oral, rat)
• Explode Limits: 1.7–9.8%; 9.8 %
• GHS Hazard statements: 225, 302, 314, 331; H225-H300-H332-H314-H318-H402-H412; H225-H302-H314-H331
• GHS Precautionary statements: 210, 261, 280, 305+351+338, 310; P210-P261-P280-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)
• RID/ADR: UN 3286 3/PG 2

Product Information

• Purity: ≥97.0% (GC); ≥99.5%; ≥99.5% (GC); 95%; 98%
• Grade: puriss.; purum
• Purified By: redistillation
• Quality Level: PREMIUM
• Linear Formula: (CH3)3CNH2

DETAILS

Sigma Aldrich - B89205

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

Sigma Aldrich - 391433

Packaging
1 L in Sure/Seal™
100 mL in Sure/Seal™