(4-benzylmorpholin-3-yl)methanamine

• ChemBase ID: 24860
• Molecular Formular: C12H18N2O
• Molecular Mass: 206.28412
• Monoisotopic Mass: 206.14191321
• SMILES: N1(C(COCC1)CN)Cc1ccccc1
• Canonical SMILES: NCC1COCCN1Cc1ccccc1
• InChI: InChI=1S/C12H18N2O/c13-8-12-10-15-7-6-14(12)9-11-4-2-1-3-5-11/h1-5,12H,6-10,13H2
• InChIKey: HETPMFZQKHRWBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-benzylmorpholin-3-yl)methanamine
• IUPAC Traditional name: (4-benzylmorpholin-3-yl)methanamine
• Synonyms: (4-Benzylmorpholin-3-yl)methylamine

Database IDs

• CAS Number: 169750-73-6
• MDL Number: MFCD06739120
• PubChem SID: 160988167
• PubChem CID: 10442980

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.1716259
• LogD (pH = 7.4): -0.9408639
• Log P: 0.95892537
• Molar Refractivity: 61.2952 cm^3
• Polarizability: 24.405962 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%