(4-benzylmorpholin-2-yl)methanamine

• ChemBase ID: 80601
• Molecular Formular: C12H18N2O
• Molecular Mass: 206.28412
• Monoisotopic Mass: 206.14191321
• SMILES: N1(CC(CN)OCC1)Cc1ccccc1
• Canonical SMILES: NCC1OCCN(C1)Cc1ccccc1
• InChI: InChI=1S/C12H18N2O/c13-8-12-10-14(6-7-15-12)9-11-4-2-1-3-5-11/h1-5,12H,6-10,13H2
• InChIKey: CKZVBXBEDDAEFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-benzylmorpholin-2-yl)methanamine
• IUPAC Traditional name: (4-benzylmorpholin-2-yl)methanamine
• Synonyms: (4-benzyl-1,4-oxazinan-2-yl)methylamine; (4-Benzyl-1,4-oxazinan-2-yl)methylamine 90%; (4-benzylmorpholin-2-yl)methylamine; (4-Benzylmorpholin-2-yl)methanamine

Database IDs

• CAS Number: 110859-47-7
• MDL Number: MFCD02682010
• PubChem SID: 162067721
• PubChem CID: 2776360

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.9870412
• LogD (pH = 7.4): -1.0935761
• Log P: 0.95892537
• Molar Refractivity: 61.2952 cm^3
• Polarizability: 24.405964 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.278

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95%; 95+%; 97%; 98%