3-(morpholin-4-yl)propane-1-sulfonyl chloride hydrochloride

• ChemBase ID: 247990
• Molecular Formular: C7H15Cl2NO3S
• Molecular Mass: 264.1699
• Monoisotopic Mass: 263.01496971
• SMILES: S(=O)(=O)(Cl)CCCN1CCOCC1.Cl
• Canonical SMILES: ClS(=O)(=O)CCCN1CCOCC1.Cl
• InChI: InChI=1S/C7H14ClNO3S.ClH/c8-13(10,11)7-1-2-9-3-5-12-6-4-9;/h1-7H2;1H
• InChIKey: VZSCGSIGWQNSML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(morpholin-4-yl)propane-1-sulfonyl chloride hydrochloride
• IUPAC Traditional name: 3-(morpholin-4-yl)propane-1-sulfonyl chloride hydrochloride
• Synonyms: 3-(morpholin-4-yl)propane-1-sulfonyl chloride hydrochloride

Database IDs

• MDL Number: MFCD18425900
• PubChem SID: 164303900
• PubChem CID: 22007742

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.2142321
• LogD (pH = 7.4): -0.18309599
• Log P: -0.18268423
• Molar Refractivity: 52.186 cm^3
• Polarizability: 21.298704 Å^3
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 135 - 137°C
• Hydrophobicity(logP): -0.67

Product Information

• Purity: 95%