2-(2-methanesulfonylethoxy)ethan-1-amine hydrochloride

• ChemBase ID: 279137
• Molecular Formular: C5H14ClNO3S
• Molecular Mass: 203.68756
• Monoisotopic Mass: 203.03829199
• SMILES: S(=O)(=O)(CCOCCN)C.Cl
• Canonical SMILES: NCCOCCS(=O)(=O)C.Cl
• InChI: InChI=1S/C5H13NO3S.ClH/c1-10(7,8)5-4-9-3-2-6;/h2-6H2,1H3;1H
• InChIKey: MJNZJJLGCIWTEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methanesulfonylethoxy)ethan-1-amine hydrochloride
• IUPAC Traditional name: 2-(2-methanesulfonylethoxy)ethanamine hydrochloride
• Synonyms: 2-(2-methanesulfonylethoxy)ethan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD20233604
• PubChem SID: 164335047
• PubChem CID: 54595159

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -4.909747
• LogD (pH = 7.4): -3.6311321
• Log P: -1.9927418
• Molar Refractivity: 39.0297 cm^3
• Polarizability: 16.399364 Å^3
• Polar Surface Area: 69.39 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 97 - 99°C
• Hydrophobicity(logP): -1.577

Product Information

• Purity: 95%