2-(morpholin-4-yl)-2-(pyridin-3-yl)ethan-1-amine

• ChemBase ID: 30523
• Molecular Formular: C11H17N3O
• Molecular Mass: 207.27218
• Monoisotopic Mass: 207.13716218
• SMILES: N1(C(c2cnccc2)CN)CCOCC1
• Canonical SMILES: NCC(c1cccnc1)N1CCOCC1
• InChI: InChI=1S/C11H17N3O/c12-8-11(10-2-1-3-13-9-10)14-4-6-15-7-5-14/h1-3,9,11H,4-8,12H2
• InChIKey: QSKWIAMIMXGSJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-4-yl)-2-(pyridin-3-yl)ethan-1-amine
• IUPAC Traditional name: 2-(morpholin-4-yl)-2-(pyridin-3-yl)ethanamine; 2-(morpholin-4-yl)-2-(pyridin-3-yl)ethan-1-amine
• Synonyms: 2-Morpholin-4-yl-2-pyridin-3-yl-ethylamine; 4-[2-Amino-1-(pyridin-3-yl)ethyl]morpholine; 3-[2-Amino-1-(morpholin-4-yl)ethyl]pyridine; 2-(Morpholin-4-yl)-2-(pyrid-3-yl)ethylamine; (2-morpholin-4-yl-2-pyridin-3-ylethyl)amine

Database IDs

• CAS Number: 410544-52-4
• MDL Number: MFCD01631945
• PubChem SID: 160993830
• PubChem CID: 4988991

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.1558256
• LogD (pH = 7.4): -1.7235763
• Log P: -0.25874704
• Molar Refractivity: 59.1383 cm^3
• Polarizability: 23.490456 Å^3
• Polar Surface Area: 51.38 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive; IRRITANT
• TSCA Listed: false