2-(morpholine-4-sulfonyl)ethan-1-amine hydrochloride

• ChemBase ID: 34414
• Molecular Formular: C6H15ClN2O3S
• Molecular Mass: 230.7129
• Monoisotopic Mass: 230.04919103
• SMILES: S(=O)(=O)(N1CCOCC1)CCN.Cl
• Canonical SMILES: NCCS(=O)(=O)N1CCOCC1.Cl
• InChI: InChI=1S/C6H14N2O3S.ClH/c7-1-6-12(9,10)8-2-4-11-5-3-8;/h1-7H2;1H
• InChIKey: QTVLTMWZHMOYTR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholine-4-sulfonyl)ethan-1-amine hydrochloride
• IUPAC Traditional name: 2-(morpholine-4-sulfonyl)ethanamine hydrochloride
• Synonyms: 2-(Morpholin-4-ylsulfonyl)ethanamine hydrochloride; 2-(morpholine-4-sulfonyl)ethan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD08752510
• PubChem SID: 160997721
• PubChem CID: 17998898

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -4.640066
• LogD (pH = 7.4): -3.033518
• Log P: -1.9511924
• Molar Refractivity: 45.0084 cm^3
• Polarizability: 18.678053 Å^3
• Polar Surface Area: 72.63 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 178 - 180°C
• Hydrophobicity(logP): -0.571

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%