[2-(morpholin-4-yl)ethyl](pyridin-3-ylmethyl)amine

• ChemBase ID: 13404
• Molecular Formular: C12H19N3O
• Molecular Mass: 221.29876
• Monoisotopic Mass: 221.15281224
• SMILES: O1CCN(CC1)CCNCc1cnccc1
• Canonical SMILES: O1CCN(CC1)CCNCc1cccnc1
• InChI: InChI=1S/C12H19N3O/c1-2-12(10-13-3-1)11-14-4-5-15-6-8-16-9-7-15/h1-3,10,14H,4-9,11H2
• InChIKey: AAJWMKNMEBVICH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(morpholin-4-yl)ethyl](pyridin-3-ylmethyl)amine
• IUPAC Traditional name: [2-(morpholin-4-yl)ethyl](pyridin-3-ylmethyl)amine
• Synonyms: (2-Morpholin-4-yl-ethyl)-pyridin-3-ylmethyl-amine

Database IDs

• MDL Number: MFCD03724753
• PubChem SID: 160976711
• PubChem CID: 3152378

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.9482431
• LogD (pH = 7.4): -1.4244868
• Log P: 0.11406629
• Molar Refractivity: 64.2427 cm^3
• Polarizability: 25.334364 Å^3
• Polar Surface Area: 37.39 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false