[2-(morpholin-4-yl)-1,3-thiazol-4-yl]methanamine dihydrochloride

• ChemBase ID: 55222
• Molecular Formular: C8H15Cl2N3OS
• Molecular Mass: 272.1952
• Monoisotopic Mass: 271.03128848
• SMILES: c1(nc(cs1)CN)N1CCOCC1.Cl.Cl
• Canonical SMILES: NCc1csc(n1)N1CCOCC1.Cl.Cl
• InChI: InChI=1S/C8H13N3OS.2ClH/c9-5-7-6-13-8(10-7)11-1-3-12-4-2-11;;/h6H,1-5,9H2;2*1H
• InChIKey: CBHLSKSCHDWBOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(morpholin-4-yl)-1,3-thiazol-4-yl]methanamine dihydrochloride
• IUPAC Traditional name: [2-(morpholin-4-yl)-1,3-thiazol-4-yl]methanamine dihydrochloride
• Synonyms: [(2-Morpholin-4-yl-1,3-thiazol-4-yl)methyl]amine dihydrochloride

Database IDs

• CAS Number: 1023811-09-7
• MDL Number: MFCD13857382
• PubChem SID: 162059985
• PubChem CID: 47000698

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.2012832
• LogD (pH = 7.4): -0.5544875
• Log P: 0.41307235
• Molar Refractivity: 52.194 cm^3
• Polarizability: 19.970785 Å^3
• Polar Surface Area: 51.38 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false