(2-aminoethyl)(octyl)amine

• ChemBase ID: 812586
• Molecular Formular: C10H24N2
• Molecular Mass: 172.31096
• Monoisotopic Mass: 172.19394878
• SMILES: C(CN)NCCCCCCCC
• Canonical SMILES: CCCCCCCCNCCN
• InChI: InChI=1S/C10H24N2/c1-2-3-4-5-6-7-9-12-10-8-11/h12H,2-11H2,1H3
• InChIKey: UTPUPJKKYXJFPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-aminoethyl)(octyl)amine
• IUPAC Traditional name: (2-aminoethyl)(octyl)amine
• Synonyms: N-OCTYL-ETHYLENE-1,2-DIAMINE

Database IDs

• CAS Number: 40510-21-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.7573261
• LogD (pH = 7.4): -0.7669759
• Log P: 2.1123114
• Molar Refractivity: 54.9208 cm^3
• Polarizability: 22.246355 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%