4-(morpholin-4-ylmethyl)aniline dihydrochloride

• ChemBase ID: 244124
• Molecular Formular: C11H18Cl2N2O
• Molecular Mass: 265.17942
• Monoisotopic Mass: 264.07961857
• SMILES: N1(Cc2ccc(N)cc2)CCOCC1.Cl.Cl
• Canonical SMILES: Nc1ccc(cc1)CN1CCOCC1.Cl.Cl
• InChI: InChI=1S/C11H16N2O.2ClH/c12-11-3-1-10(2-4-11)9-13-5-7-14-8-6-13;;/h1-4H,5-9,12H2;2*1H
• InChIKey: GZINJYNBGHSHER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(morpholin-4-ylmethyl)aniline dihydrochloride
• IUPAC Traditional name: 4-(morpholin-4-ylmethyl)aniline dihydrochloride
• Synonyms: 4-(morpholin-4-ylmethyl)aniline dihydrochloride

Database IDs

• CAS Number: 51013-67-3
• MDL Number: MFCD07701120
• PubChem SID: 164300034
• PubChem CID: 16246599

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.8303602
• LogD (pH = 7.4): 0.6579287
• Log P: 0.86721617
• Molar Refractivity: 58.3756 cm^3
• Polarizability: 22.166222 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.662

Product Information

• Purity: 95%
• Salt Data: 2HCl