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

• ChemBase ID: 87487
• Molecular Formular: C9H13N3O
• Molecular Mass: 179.21902
• Monoisotopic Mass: 179.10586205
• SMILES: N1(c2ccnc(c2)N)CCOCC1
• Canonical SMILES: Nc1nccc(c1)N1CCOCC1
• InChI: InChI=1S/C9H13N3O/c10-9-7-8(1-2-11-9)12-3-5-13-6-4-12/h1-2,7H,3-6H2,(H2,10,11)
• InChIKey: KEQRMEXRBFYCCN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(morpholin-4-yl)pyridin-2-amine
• IUPAC Traditional name: 4-(morpholin-4-yl)pyridin-2-amine
• Synonyms: 4-(Morpholin-4-yl)pyridin-2-amine; 4-(2-Aminopyridin-4-yl)morpholine; 2-Amino-4-(morpholin-4-yl)pyridine

Database IDs

• CAS Number: 722549-98-6
• MDL Number: MFCD09991750
• PubChem SID: 162074530
• PubChem CID: 21934537

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.0790654
• LogD (pH = 7.4): -1.0236953
• Log P: 0.41064838
• Molar Refractivity: 52.4181 cm^3
• Polarizability: 19.040321 Å^3
• Polar Surface Area: 51.38 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant/Air Sensitive/Store under Argon