methyl[(2-phenyl-1,3-thiazol-4-yl)methyl]amine hydrochloride

• ChemBase ID: 244265
• Molecular Formular: C11H13ClN2S
• Molecular Mass: 240.75232
• Monoisotopic Mass: 240.04879711
• SMILES: n1c(scc1CNC)c1ccccc1.Cl
• Canonical SMILES: CNCc1csc(n1)c1ccccc1.Cl
• InChI: InChI=1S/C11H12N2S.ClH/c1-12-7-10-8-14-11(13-10)9-5-3-2-4-6-9;/h2-6,8,12H,7H2,1H3;1H
• InChIKey: ZNOAOAKIGMMPSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(2-phenyl-1,3-thiazol-4-yl)methyl]amine hydrochloride
• IUPAC Traditional name: methyl[(2-phenyl-1,3-thiazol-4-yl)methyl]amine hydrochloride
• Synonyms: methyl[(2-phenyl-1,3-thiazol-4-yl)methyl]amine hydrochloride; METHYL-(2-PHENYL-THIAZOL-4-YLMETHYL)-AMINE HCL

Database IDs

• CAS Number: 1187928-00-2
• MDL Number: MFCD06738962
• PubChem SID: 164300175
• PubChem CID: 53408646

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.35669953
• LogD (pH = 7.4): 1.363104
• Log P: 2.2966297
• Molar Refractivity: 69.0938 cm^3
• Polarizability: 23.599644 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.952

Product Information

• Purity: 95%; 98%