bis(3-methylbutyl)amine

• ChemBase ID: 301906
• Molecular Formular: C10H23N
• Molecular Mass: 157.29632
• Monoisotopic Mass: 157.18304974
• SMILES: CC(C)CCNCCC(C)C
• Canonical SMILES: CC(CCNCCC(C)C)C
• InChI: InChI=1S/C10H23N/c1-9(2)5-7-11-8-6-10(3)4/h9-11H,5-8H2,1-4H3
• InChIKey: SPVVMXMTSODFPU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(3-methylbutyl)amine
• IUPAC Traditional name: bis(3-methylbutyl)amine
• Synonyms: Bis(3-methylbutyl)amine; Diisoamylamine; Diisopentylamine; 二异戊基氨

Database IDs

• CAS Number: 544-00-3
• EC Number: 208-856-9
• MDL Number: MFCD00015053
• Beilstein Number: 1719663
• Merck Index: 143193

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.20913278
• LogD (pH = 7.4): 0.022956409
• Log P: 3.0289578
• Molar Refractivity: 51.5378 cm^3
• Polarizability: 20.73024 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -44°C
• Boiling Point: 187-188°C
• Flash Point: 58°C(136°F)
• Density: 0.767
• Refractive Index: 1.4230

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: UN2733
• Hazard Class: 3
• Packing Group: II
• Risk Statements: 34
• Safety Statements: 20-26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05
• GHS Hazard statements: H314-H318-H226
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

• Purity: 97%