N-(2-aminopropyl)-N-methylaniline dihydrochloride

• ChemBase ID: 263302
• Molecular Formular: C10H18Cl2N2
• Molecular Mass: 237.16932
• Monoisotopic Mass: 236.08470395
• SMILES: N(CC(N)C)(c1ccccc1)C.Cl.Cl
• Canonical SMILES: CC(CN(c1ccccc1)C)N.Cl.Cl
• InChI: InChI=1S/C10H16N2.2ClH/c1-9(11)8-12(2)10-6-4-3-5-7-10;;/h3-7,9H,8,11H2,1-2H3;2*1H
• InChIKey: LXZCZTDZMPXQLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-aminopropyl)-N-methylaniline dihydrochloride
• IUPAC Traditional name: N-(2-aminopropyl)-N-methylaniline dihydrochloride
• Synonyms: N-(2-aminopropyl)-N-methylaniline dihydrochloride

Database IDs

• MDL Number: MFCD13196034
• PubChem SID: 164319212
• PubChem CID: 45792293

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.312138
• LogD (pH = 7.4): -0.6415773
• Log P: 1.7008809
• Molar Refractivity: 52.8552 cm^3
• Polarizability: 20.400381 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.95

Product Information

• Purity: 95%