4-(aminomethyl)-N,N-dimethyl-1,3-thiazol-2-amine dihydrochloride

• ChemBase ID: 55220
• Molecular Formular: C6H13Cl2N3S
• Molecular Mass: 230.15852
• Monoisotopic Mass: 229.02072379
• SMILES: c1(nc(cs1)CN)N(C)C.Cl.Cl
• Canonical SMILES: NCc1csc(n1)N(C)C.Cl.Cl
• InChI: InChI=1S/C6H11N3S.2ClH/c1-9(2)6-8-5(3-7)4-10-6;;/h4H,3,7H2,1-2H3;2*1H
• InChIKey: ILMFKOWUROCUNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(aminomethyl)-N,N-dimethyl-1,3-thiazol-2-amine dihydrochloride
• IUPAC Traditional name: 4-(aminomethyl)-N,N-dimethyl-1,3-thiazol-2-amine dihydrochloride
• Synonyms: 4-(Aminomethyl)-N,N-dimethyl-1,3-thiazol-2-amine dihydrochloride

Database IDs

• CAS Number: 1023818-77-0
• MDL Number: MFCD13857414
• PubChem SID: 162059983
• PubChem CID: 47000696

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.9846057
• LogD (pH = 7.4): -0.33860293
• Log P: 0.6315728
• Molar Refractivity: 43.1195 cm^3
• Polarizability: 16.295582 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false