[3-(morpholin-4-yl)phenyl]methanamine

• ChemBase ID: 74245
• Molecular Formular: C11H16N2O
• Molecular Mass: 192.25754
• Monoisotopic Mass: 192.12626314
• SMILES: O1CCN(c2cc(ccc2)CN)CC1
• Canonical SMILES: NCc1cccc(c1)N1CCOCC1
• InChI: InChI=1S/C11H16N2O/c12-9-10-2-1-3-11(8-10)13-4-6-14-7-5-13/h1-3,8H,4-7,9,12H2
• InChIKey: RVNBOLIRQOSAAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(morpholin-4-yl)phenyl]methanamine
• IUPAC Traditional name: [3-(morpholin-4-yl)phenyl]methanamine
• Synonyms: (3-morpholinophenyl)methylamine; 3-(Morpholin-4-yl)benzylamine; 4-[3-(Aminomethyl)phenyl]morpholine; [3-(Morpholin-4-yl)phenyl]methylamine

Database IDs

• CAS Number: 625470-29-3
• MDL Number: MFCD06659079
• PubChem SID: 162039164
• PubChem CID: 2795550

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.0092015
• LogD (pH = 7.4): -1.1581732
• Log P: 0.98855764
• Molar Refractivity: 58.0345 cm^3
• Polarizability: 22.164314 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 97%