(2-aminoethyl)(decyl)amine

• ChemBase ID: 277584
• Molecular Formular: C12H28N2
• Molecular Mass: 200.36412
• Monoisotopic Mass: 200.22524891
• SMILES: N(CCN)CCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCNCCN
• InChI: InChI=1S/C12H28N2/c1-2-3-4-5-6-7-8-9-11-14-12-10-13/h14H,2-13H2,1H3
• InChIKey: YZPMGCUOUVFLJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-aminoethyl)(decyl)amine
• IUPAC Traditional name: (2-aminoethyl)(decyl)amine
• Synonyms: (2-aminoethyl)(decyl)amine

Database IDs

• MDL Number: MFCD12973596
• PubChem SID: 164333494
• PubChem CID: 12659617

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.8681889
• LogD (pH = 7.4): 0.12216146
• Log P: 3.0014486
• Molar Refractivity: 64.1228 cm^3
• Polarizability: 25.940214 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.365

Product Information

• Purity: 95%