2-(morpholin-4-yl)pyridin-3-amine

• ChemBase ID: 39731
• Molecular Formular: C9H13N3O
• Molecular Mass: 179.21902
• Monoisotopic Mass: 179.10586205
• SMILES: c1(N2CCOCC2)ncccc1N
• Canonical SMILES: Nc1cccnc1N1CCOCC1
• InChI: InChI=1S/C9H13N3O/c10-8-2-1-3-11-9(8)12-4-6-13-7-5-12/h1-3H,4-7,10H2
• InChIKey: DHYQHRDXKCKJAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-4-yl)pyridin-3-amine
• IUPAC Traditional name: 2-(morpholin-4-yl)pyridin-3-amine
• Synonyms: 2-Morpholino-3-pyridinamine; 2-Morpholin-4-ylpyridin-3-amine; 3-Amino-2-morpholin-4-ylpyridine

Database IDs

• CAS Number: 51627-47-5
• MDL Number: MFCD03001243
• PubChem SID: 161003038
• PubChem CID: 2776573

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.7773493
• LogD (pH = 7.4): 0.28158575
• Log P: 0.41064838
• Molar Refractivity: 52.4181 cm^3
• Polarizability: 19.045212 Å^3
• Polar Surface Area: 51.38 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 126-128°C; 127 - 129 °C; 127-129°C

Safety Information

• Storage Warning: IRRITANT; Toxic/Harmful
• TSCA Listed: false

Product Information

• Purity: >95%; 97%