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

• ChemBase ID: 40098
• Molecular Formular: C9H13N3O
• Molecular Mass: 179.21902
• Monoisotopic Mass: 179.10586205
• SMILES: c1(N2CCOCC2)ncc(N)cc1
• Canonical SMILES: Nc1ccc(nc1)N1CCOCC1
• InChI: InChI=1S/C9H13N3O/c10-8-1-2-9(11-7-8)12-3-5-13-6-4-12/h1-2,7H,3-6,10H2
• InChIKey: VVTSPTCBHTWXMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(morpholin-4-yl)pyridin-3-amine
• IUPAC Traditional name: 6-(morpholin-4-yl)pyridin-3-amine
• Synonyms: 6-Morpholino-3-pyridinamine; 6-morpholinopyridin-3-amine; 6-(4-morpholinyl)-3-pyridinamine; 6-(4-Morpholinyl)-3-pyridinamine; 5-Amino-2-(4-morpholinyl)pyridine; 3-AMINO-6-MORPHOLINOPYRIDINE; 6-morpholin-4-ylpyridin-3-amine; 6-(Morpholin-4-yl)pyridin-3-amine; 5-Amino-2-(morpholin-4-yl)pyridine; 5-氨基-2-(4-吗啉基)吡啶

Database IDs

• CAS Number: 52023-68-4
• EC Number: 257-613-3
• MDL Number: MFCD00119562
• PubChem SID: 162044861
• PubChem CID: 104059

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.7143525
• LogD (pH = 7.4): 0.3096537
• Log P: 0.41064838
• Molar Refractivity: 52.4181 cm^3
• Polarizability: 19.043875 Å^3
• Polar Surface Area: 51.38 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 124 - 126°C; 126-128°C; 127-130°C; 128 - 130 °C; 128-130°C
• Hydrophobicity(logP): 0.687

Safety Information

• Storage Condition: Store under N2
• Storage Warning: IRRITANT; Toxic/Harmful
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: >95%; 95%; 97%; 98%