2-(morpholin-4-yl)-1-phenylethan-1-amine

• ChemBase ID: 17017
• Molecular Formular: C12H18N2O
• Molecular Mass: 206.28412
• Monoisotopic Mass: 206.14191321
• SMILES: c1(C(CN2CCOCC2)N)ccccc1
• Canonical SMILES: NC(c1ccccc1)CN1CCOCC1
• InChI: InChI=1S/C12H18N2O/c13-12(11-4-2-1-3-5-11)10-14-6-8-15-9-7-14/h1-5,12H,6-10,13H2
• InChIKey: CLAGARRWBBUZDR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-4-yl)-1-phenylethan-1-amine
• IUPAC Traditional name: 2-(morpholin-4-yl)-1-phenylethanamine
• Synonyms: (2-morpholin-4-yl-1-phenylethyl)amine dihydrocloride; 2-morpholin-4-yl-1-phenylethanamine; alpha-[(Morpholin-4-yl)methyl]benzylamine; 4-(2-Amino-2-phenylethyl)morpholine; 2-Morpholin-4-yl-1-phenyl-ethylamine

Database IDs

• CAS Number: 38060-08-1
• MDL Number: MFCD01862532
• PubChem SID: 160980324
• PubChem CID: 2814462

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.0366406
• LogD (pH = 7.4): -0.58583784
• Log P: 0.95892537
• Molar Refractivity: 61.2952 cm^3
• Polarizability: 24.405348 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 32 - 34°C
• Partition Coefficient: 0.726
• Hydrophobicity(logP): 1.163

Safety Information

• Storage Warning: Corrosive; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%
• Salt Data: 2 HCl