[2-(morpholin-4-yl)pyridin-4-yl]methanamine

• ChemBase ID: 101260
• Molecular Formular: C10H15N3O
• Molecular Mass: 193.2456
• Monoisotopic Mass: 193.12151212
• SMILES: c1(N2CCOCC2)nccc(c1)CN
• Canonical SMILES: NCc1ccnc(c1)N1CCOCC1
• InChI: InChI=1S/C10H15N3O/c11-8-9-1-2-12-10(7-9)13-3-5-14-6-4-13/h1-2,7H,3-6,8,11H2
• InChIKey: NHFVDBCQOZATNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(morpholin-4-yl)pyridin-4-yl]methanamine
• IUPAC Traditional name: [2-(morpholin-4-yl)pyridin-4-yl]methanamine
• Synonyms: (2-morpholinopyrid-4-yl)methylamine; (2-morpholin-4-ylpyridin-4-yl)methylamine

Database IDs

• CAS Number: 864068-88-2
• MDL Number: MFCD08060472
• PubChem SID: 162087594
• PubChem CID: 7537568

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.6420112
• LogD (pH = 7.4): -1.5827125
• Log P: 0.36534277
• Molar Refractivity: 56.1911 cm^3
• Polarizability: 21.260582 Å^3
• Polar Surface Area: 51.38 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.034

Product Information

• Purity: 95%; 97%