butyl[2-(butylamino)ethyl]amine

• ChemBase ID: 10688
• Molecular Formular: C10H24N2
• Molecular Mass: 172.31096
• Monoisotopic Mass: 172.19394878
• SMILES: CCCCNCCNCCCC
• Canonical SMILES: CCCCNCCNCCCC
• InChI: InChI=1S/C10H24N2/c1-3-5-7-11-9-10-12-8-6-4-2/h11-12H,3-10H2,1-2H3
• InChIKey: YRGVKPIUZUOJSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: butyl[2-(butylamino)ethyl]amine
• IUPAC Traditional name: butyl[2-(butylamino)ethyl]amine
• Synonyms: N,N'-Di-n-butylethylenediamine

Database IDs

• MDL Number: MFCD00015230
• PubChem SID: 160973995
• PubChem CID: 77629

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.7922997
• LogD (pH = 7.4): -0.6675604
• Log P: 2.090516
• Molar Refractivity: 55.165 cm^3
• Polarizability: 22.246355 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 92°C/ 3mm

Safety Information

• Storage Warning: CORROSIVE
• TSCA Listed: false

Product Information

• Purity: 97%