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

• ChemBase ID: 13405
• Molecular Formular: C12H19N3O
• Molecular Mass: 221.29876
• Monoisotopic Mass: 221.15281224
• SMILES: O1CCN(CC1)CCNCc1ccncc1
• Canonical SMILES: O1CCN(CC1)CCNCc1ccncc1
• InChI: InChI=1S/C12H19N3O/c1-3-13-4-2-12(1)11-14-5-6-15-7-9-16-10-8-15/h1-4,14H,5-11H2
• InChIKey: UQENBVFJDLCEFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD03724754
• PubChem SID: 160976712
• PubChem CID: 3152379

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.985281
• LogD (pH = 7.4): -1.5181481
• Log P: 0.11406629
• Molar Refractivity: 64.2427 cm^3
• Polarizability: 25.334108 Å^3
• Polar Surface Area: 37.39 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.381

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%