1-(morpholin-4-yl)-1-phenylpropan-2-amine hydrochloride

• ChemBase ID: 229698
• Molecular Formular: C13H21ClN2O
• Molecular Mass: 256.77164
• Monoisotopic Mass: 256.13424098
• SMILES: N1(C(c2ccccc2)C(N)C)CCOCC1.Cl
• Canonical SMILES: CC(C(c1ccccc1)N1CCOCC1)N.Cl
• InChI: InChI=1S/C13H20N2O.ClH/c1-11(14)13(12-5-3-2-4-6-12)15-7-9-16-10-8-15;/h2-6,11,13H,7-10,14H2,1H3;1H
• InChIKey: ZRIGFIATTYUJLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(morpholin-4-yl)-1-phenylpropan-2-amine hydrochloride
• IUPAC Traditional name: 1-(morpholin-4-yl)-1-phenylpropan-2-amine hydrochloride
• Synonyms: 1-methyl-2-morpholin-4-yl-2-phenylethylamine hydrochloride

Database IDs

• CAS Number: 100800-07-5
• MDL Number: MFCD08445295
• PubChem SID: 164285608
• PubChem CID: 20847973

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.8201416
• LogD (pH = 7.4): -0.40118566
• Log P: 1.3755004
• Molar Refractivity: 65.714 cm^3
• Polarizability: 26.250889 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 130 - 132°C
• Hydrophobicity(logP): 1.43

Product Information

• Purity: 95%
• Salt Data: HCl