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

• ChemBase ID: 18834
• Molecular Formular: C10H16N2OS
• Molecular Mass: 212.31184
• Monoisotopic Mass: 212.09833414
• SMILES: c1(C(N2CCOCC2)CN)sccc1
• Canonical SMILES: NCC(c1cccs1)N1CCOCC1
• InChI: InChI=1S/C10H16N2OS/c11-8-9(10-2-1-7-14-10)12-3-5-13-6-4-12/h1-2,7,9H,3-6,8,11H2
• InChIKey: JYYRNJZYOMUQSA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-4-yl)-2-(thiophen-2-yl)ethan-1-amine
• IUPAC Traditional name: 2-(morpholin-4-yl)-2-(thiophen-2-yl)ethanamine
• Synonyms: 2-Morpholin-4-yl-2-thiophen-2-yl-ethylamine

Database IDs

• MDL Number: MFCD06373942
• PubChem SID: 160982141
• PubChem CID: 3815310

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.0610816
• LogD (pH = 7.4): -0.50333995
• Log P: 0.87180674
• Molar Refractivity: 58.1851 cm^3
• Polarizability: 23.043133 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.767

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%