5-(morpholin-4-ylmethyl)pyridin-2-amine

• ChemBase ID: 243911
• Molecular Formular: C10H15N3O
• Molecular Mass: 193.2456
• Monoisotopic Mass: 193.12151212
• SMILES: n1c(N)ccc(CN2CCOCC2)c1
• Canonical SMILES: Nc1ccc(cn1)CN1CCOCC1
• InChI: InChI=1S/C10H15N3O/c11-10-2-1-9(7-12-10)8-13-3-5-14-6-4-13/h1-2,7H,3-6,8H2,(H2,11,12)
• InChIKey: XQPFECSWBBZEOO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(morpholin-4-ylmethyl)pyridin-2-amine
• IUPAC Traditional name: 5-(morpholin-4-ylmethyl)pyridin-2-amine
• Synonyms: 5-(morpholin-4-ylmethyl)pyridin-2-amine

Database IDs

• MDL Number: MFCD16689281
• PubChem SID: 164299821
• PubChem CID: 57867515

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.91150963
• LogD (pH = 7.4): 0.19104354
• Log P: 0.24400128
• Molar Refractivity: 56.5322 cm^3
• Polarizability: 21.262238 Å^3
• Polar Surface Area: 51.38 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 119 - 121°C
• Hydrophobicity(logP): 0.065

Product Information

• Purity: 95%