(2-phenyl-1,3-thiazol-5-yl)methanamine hydrochloride

• ChemBase ID: 15857
• Molecular Formular: C10H11ClN2S
• Molecular Mass: 226.72574
• Monoisotopic Mass: 226.03314704
• SMILES: c1nc(sc1CN)c1ccccc1.Cl
• Canonical SMILES: NCc1cnc(s1)c1ccccc1.Cl
• InChI: InChI=1S/C10H10N2S.ClH/c11-6-9-7-12-10(13-9)8-4-2-1-3-5-8;/h1-5,7H,6,11H2;1H
• InChIKey: ZDQWBKSBVOECEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-phenyl-1,3-thiazol-5-yl)methanamine hydrochloride
• IUPAC Traditional name: (2-phenyl-1,3-thiazol-5-yl)methanamine hydrochloride
• Synonyms: [(2-Phenyl-1,3-thiazol-5-yl)methyl]amine hydrochloride; (2-phenyl-1,3-thiazol-5-yl)methanamine hydrochloride

Database IDs

• MDL Number: MFCD03129296
• PubChem SID: 160979164
• PubChem CID: 2932203

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.7411211
• LogD (pH = 7.4): 0.8852373
• Log P: 1.9150167
• Molar Refractivity: 64.6255 cm^3
• Polarizability: 21.755949 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 263 - 265°C
• Hydrophobicity(logP): 1.536

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%