(2-methoxyethyl)(thiophen-2-ylmethyl)amine

• ChemBase ID: 35739
• Molecular Formular: C8H13NOS
• Molecular Mass: 171.25992
• Monoisotopic Mass: 171.07178504
• SMILES: s1c(ccc1)CNCCOC
• Canonical SMILES: COCCNCc1cccs1
• InChI: InChI=1S/C8H13NOS/c1-10-5-4-9-7-8-3-2-6-11-8/h2-3,6,9H,4-5,7H2,1H3
• InChIKey: XYXJSPNXSOZJFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxyethyl)(thiophen-2-ylmethyl)amine
• IUPAC Traditional name: (2-methoxyethyl)(thiophen-2-ylmethyl)amine
• Synonyms: (2-methoxyethyl)(2-thienylmethyl)amine; N-(2-Methoxyethyl)-N-(thien-2-ylmethyl)amine

Database IDs

• CAS Number: 852399-96-3
• MDL Number: MFCD06655489
• PubChem SID: 160999046
• PubChem CID: 4719999

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5087857
• LogD (pH = 7.4): 0.10503322
• Log P: 1.3975005
• Molar Refractivity: 47.2394 cm^3
• Polarizability: 18.561302 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.187

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%