3-methylbutan-2-amine

• ChemBase ID: 89657
• Molecular Formular: C5H13N
• Molecular Mass: 87.16342
• Monoisotopic Mass: 87.10479942
• SMILES: NC(C)C(C)C
• Canonical SMILES: CC(C(C)C)N
• InChI: InChI=1S/C5H13N/c1-4(2)5(3)6/h4-5H,6H2,1-3H3
• InChIKey: JOZZAIIGWFLONA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methylbutan-2-amine
• IUPAC Traditional name: 3-methyl-2-butanamine
• Synonyms: 1,2-Dimethylpropylamine; 1,2-dimethylpropylamine; (+/-)-3-Methyl-2-butylamine; (+/-)-1,2-Dimethylpropylamine; (±)-2-Amino-3-methylbutane; 1,2-Dimethylpropylamine; 2-Amino-3-methylbutane; 1,2-二甲基丙胺; (±)-2-氨基-3-甲基丁烷

Database IDs

• CAS Number: 34985-37-0; 598-74-3
• EC Number: 209-949-7
• MDL Number: MFCD00008081
• Beilstein Number: 635656
• PubChem SID: 24851417; 162076520
• PubChem CID: 11731

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.9927242
• LogD (pH = 7.4): -1.7157242
• Log P: 1.0354193
• Molar Refractivity: 28.0818 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

• Melting Point: -50 °C(lit.); -50°C; -50°C; -51 - -50°C
• Boiling Point: 84-87 °C(lit.); 84-87°C; 84-87°C
• Flash Point: -18.4 °F; -28 °C; -28°C(-18°F)
• Density: 0.757; 0.757 g/mL at 25 °C(lit.)
• Refractive Index: 1.4055; n20/D 1.4055(lit.)
• Hydrophobicity(logP): 1.102

Safety Information

• Storage Warning: Air Sensitive
• RTECS: UI1100000
• European Hazard Symbols: Corrosive (C); Flammable (F); X
• UN Number: 3286; UN2733
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11-20/21/22-34; 11-21/22-34
• 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-H302-H312-H314; H225-H311-H302-H332-H314-H318
• GHS Precautionary statements: P210-P280-P305 + P351 + P338-P310; P210-P280-P305+P351+P338-P309-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 3286 3/PG 2

Product Information

• Purity: ≥98%; 95%; 98+%
• Linear Formula: (CH3)2CHCH(CH3)NH2

DETAILS

Sigma Aldrich - 190187

Packaging
25 g in glass bottle