(2-methoxyethyl)(1,3-thiazol-2-ylmethyl)amine dihydrochloride

• ChemBase ID: 55532
• Molecular Formular: C7H14Cl2N2OS
• Molecular Mass: 245.16986
• Monoisotopic Mass: 244.02038944
• SMILES: n1c(scc1)CNCCOC.Cl.Cl
• Canonical SMILES: COCCNCc1nccs1.Cl.Cl
• InChI: InChI=1S/C7H12N2OS.2ClH/c1-10-4-2-8-6-7-9-3-5-11-7;;/h3,5,8H,2,4,6H2,1H3;2*1H
• InChIKey: QCWNZCFNGDDIFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxyethyl)(1,3-thiazol-2-ylmethyl)amine dihydrochloride
• IUPAC Traditional name: (2-methoxyethyl)(1,3-thiazol-2-ylmethyl)amine dihydrochloride
• Synonyms: (2-Methoxyethyl)(1,3-thiazol-2-ylmethyl)amine dihydrochloride

Database IDs

• CAS Number: 886504-94-5
• MDL Number: MFCD13186051
• PubChem SID: 162060295
• PubChem CID: 54759008

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.5871531
• LogD (pH = 7.4): -0.0429211
• Log P: 0.21657836
• Molar Refractivity: 44.8849 cm^3
• Polarizability: 17.706656 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false