2-(decahydroquinolin-1-yl)ethan-1-amine dihydrochloride

• ChemBase ID: 266460
• Molecular Formular: C11H24Cl2N2
• Molecular Mass: 255.22766
• Monoisotopic Mass: 254.13165414
• SMILES: N1(C2C(CCC1)CCCC2)CCN.Cl.Cl
• Canonical SMILES: NCCN1CCCC2C1CCCC2.Cl.Cl
• InChI: InChI=1S/C11H22N2.2ClH/c12-7-9-13-8-3-5-10-4-1-2-6-11(10)13;;/h10-11H,1-9,12H2;2*1H
• InChIKey: NMSSHLZZVUCCAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(decahydroquinolin-1-yl)ethan-1-amine dihydrochloride
• IUPAC Traditional name: 2-(octahydro-2H-quinolin-1-yl)ethanamine dihydrochloride
• Synonyms: 2-(decahydroquinolin-1-yl)ethan-1-amine dihydrochloride

Database IDs

• MDL Number: MFCD15209675
• PubChem SID: 164322370
• PubChem CID: 47002706

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.2081912
• LogD (pH = 7.4): -0.91093105
• Log P: 1.5284648
• Molar Refractivity: 56.2931 cm^3
• Polarizability: 22.610828 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.315

Product Information

• Purity: 95%