2-methyl-3-(morpholin-4-yl)aniline dihydrochloride

• ChemBase ID: 246445
• Molecular Formular: C11H18Cl2N2O
• Molecular Mass: 265.17942
• Monoisotopic Mass: 264.07961857
• SMILES: c1(c(N2CCOCC2)cccc1N)C.Cl.Cl
• Canonical SMILES: Cc1c(N)cccc1N1CCOCC1.Cl.Cl
• InChI: InChI=1S/C11H16N2O.2ClH/c1-9-10(12)3-2-4-11(9)13-5-7-14-8-6-13;;/h2-4H,5-8,12H2,1H3;2*1H
• InChIKey: XJYOYOXYDWJRIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-3-(morpholin-4-yl)aniline dihydrochloride
• IUPAC Traditional name: 2-methyl-3-(morpholin-4-yl)aniline dihydrochloride
• Synonyms: 2-methyl-3-(morpholin-4-yl)aniline dihydrochloride

Database IDs

• MDL Number: MFCD23144304
• PubChem SID: 164302355
• PubChem CID: 71757997

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4761701
• LogD (pH = 7.4): 1.546312
• Log P: 1.5472846
• Molar Refractivity: 59.3027 cm^3
• Polarizability: 21.70082 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.82

Product Information

• Purity: 95%