(2-aminopropyl)diethylamine

• ChemBase ID: 264646
• Molecular Formular: C7H18N2
• Molecular Mass: 130.23122
• Monoisotopic Mass: 130.14699859
• SMILES: N(CC(N)C)(CC)CC
• Canonical SMILES: CCN(CC(N)C)CC
• InChI: InChI=1S/C7H18N2/c1-4-9(5-2)6-7(3)8/h7H,4-6,8H2,1-3H3
• InChIKey: ZGZHNQPTNCGKHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-aminopropyl)diethylamine
• IUPAC Traditional name: (2-aminopropyl)diethylamine
• Synonyms: (2-aminopropyl)diethylamine

Database IDs

• MDL Number: MFCD00053412
• PubChem SID: 164320556
• PubChem CID: 16643481

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.609282
• LogD (pH = 7.4): -2.3711846
• Log P: 0.5233766
• Molar Refractivity: 41.8539 cm^3
• Polarizability: 16.705751 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.044

Product Information

• Purity: 95%