2-methylbutan-2-amine

• ChemBase ID: 106959
• Molecular Formular: C5H13N
• Molecular Mass: 87.16342
• Monoisotopic Mass: 87.10479942
• SMILES: CCC(C)(C)N
• Canonical SMILES: CCC(N)(C)C
• InChI: InChI=1S/C5H13N/c1-4-5(2,3)6/h4,6H2,1-3H3
• InChIKey: GELMWIVBBPAMIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylbutan-2-amine
• IUPAC Traditional name: 2-butanamine, 2-methyl-
• Synonyms: tert-AMYLAMINE; 1,1-Dimethylpropylamine; tert-Pentylamine; tert-Amylamine; tert-Amylamine; tert-Pentylamine; 1,1-二甲基丙胺; 叔戊基胺; 叔戊胺; 叔戊基胺

Database IDs

• CAS Number: 594-39-8
• EC Number: 209-839-9
• MDL Number: MFCD00008056
• PubChem SID: 162093187; 24850613
• PubChem CID: 68986

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.078973
• LogD (pH = 7.4): -1.8854768
• Log P: 0.95102316
• Molar Refractivity: 28.2484 cm^3
• Polarizability: 11.495053 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 76-78°C; 77 °C(lit.)
• Flash Point: -1 °C; -1°C(30°F); 30.2 °F
• Density: 0.746; 0.746 g/mL at 25 °C(lit.)
• Refractive Index: 1.3995; n20/D 1.3996(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F); Toxic (T); X
• UN Number: 1106; UN1106
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11-20/21/22-34; 11-25-34
• Safety Statements: 16-26-27-36/37/39-45; 16-26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS06; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H301-H314; H225-H314-H318-H302-H312-H332
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; 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 1106 3/PG 2

Product Information

• Purity: 98%
• Linear Formula: C2H5C(CH3)2NH2

DETAILS

MP Biomedicals - 05202052

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 176990

Packaging
25 g in glass bottle