bis(pentan-2-yl)amine

• ChemBase ID: 111401
• Molecular Formular: C10H23N
• Molecular Mass: 157.29632
• Monoisotopic Mass: 157.18304974
• SMILES: CCCC(C)NC(C)CCC
• Canonical SMILES: CCCC(NC(CCC)C)C
• InChI: InChI=1S/C10H23N/c1-5-7-9(3)11-10(4)8-6-2/h9-11H,5-8H2,1-4H3
• InChIKey: ZZJKGVPMLGIOTF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(pentan-2-yl)amine
• IUPAC Traditional name: bis(pentan-2-yl)amine
• Synonyms: 1,1'-DIMETHYL-DI-n-BUTYLAMINE

Database IDs

• CAS Number: 27094-65-1
• PubChem SID: 162097134
• PubChem CID: 117353

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.048884336
• LogD (pH = 7.4): 0.22797568
• Log P: 3.2880697
• Molar Refractivity: 51.2782 cm^3
• Polarizability: 20.73024 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• Risk Statements: R:10-34
• Safety Statements: S:16-26-27/28-36/37/39-46-64

DETAILS

MP Biomedicals - 05219021

MP Biomedicals Rare Chemical collection