methyl(2-methylpropyl)amine

• ChemBase ID: 107933
• Molecular Formular: C5H13N
• Molecular Mass: 87.16342
• Monoisotopic Mass: 87.10479942
• SMILES: CNCC(C)C
• Canonical SMILES: CNCC(C)C
• InChI: InChI=1S/C5H13N/c1-5(2)4-6-3/h5-6H,4H2,1-3H3
• InChIKey: QKYWADPCTHTJHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl(2-methylpropyl)amine
• IUPAC Traditional name: methyl(2-methylpropyl)amine
• Synonyms: N-Methyl isobutylamine; N-METHYLISOBUTYLAMINE; N-Methylisobutylamine; N-甲基异丙基胺

Database IDs

• CAS Number: 625-43-4
• EC Number: 210-893-0
• MDL Number: MFCD00015043
• PubChem SID: 162094297
• PubChem CID: 12249

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.1857011
• LogD (pH = 7.4): -1.911838
• Log P: 1.0514247
• Molar Refractivity: 28.4376 cm^3
• Polarizability: 11.495053 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid
• Boiling Point: 78°C
• Density: 0.73

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: UN2733
• Hazard Class: 3
• Packing Group: II
• Risk Statements: 11-34; R:11-34
• Safety Statements: 20-26-36/37/39-45; S:16-26-27/28-36/37/39-46-64
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05
• GHS Hazard statements: H224-H314-H318
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

• Purity: 98+%