2-(morpholin-4-yl)-2-(pyridin-2-yl)ethan-1-amine

• ChemBase ID: 33039
• Molecular Formular: C11H17N3O
• Molecular Mass: 207.27218
• Monoisotopic Mass: 207.13716218
• SMILES: N1(C(c2ncccc2)CN)CCOCC1
• Canonical SMILES: NCC(c1ccccn1)N1CCOCC1
• InChI: InChI=1S/C11H17N3O/c12-9-11(10-3-1-2-4-13-10)14-5-7-15-8-6-14/h1-4,11H,5-9,12H2
• InChIKey: GNWXOVBWLWNRLH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-4-yl)-2-(pyridin-2-yl)ethan-1-amine
• IUPAC Traditional name: 2-(morpholin-4-yl)-2-(pyridin-2-yl)ethanamine
• Synonyms: 2-Morpholin-4-yl-2-pyridin-2-ylethanamine; (2-morpholin-4-yl-2-pyridin-2-ylethyl)amine

Database IDs

• CAS Number: 933735-22-9
• MDL Number: MFCD09055388
• PubChem SID: 160996346
• PubChem CID: 16767531

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.8620646
• LogD (pH = 7.4): -1.3939713
• Log P: -0.025085926
• Molar Refractivity: 58.6912 cm^3
• Polarizability: 23.491411 Å^3
• Polar Surface Area: 51.38 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false