(5-methylthiophen-2-yl)methanamine hydrochloride

• ChemBase ID: 55599
• Molecular Formular: C6H10ClNS
• Molecular Mass: 163.6683
• Monoisotopic Mass: 163.02224801
• SMILES: s1c(ccc1C)CN.Cl
• Canonical SMILES: Cc1ccc(s1)CN.Cl
• InChI: InChI=1S/C6H9NS.ClH/c1-5-2-3-6(4-7)8-5;/h2-3H,4,7H2,1H3;1H
• InChIKey: COTMVCYERKXKDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-methylthiophen-2-yl)methanamine hydrochloride
• IUPAC Traditional name: (5-methylthiophen-2-yl)methanamine hydrochloride
• Synonyms: [(5-Methyl-2-thienyl)methyl]amine hydrochloride; (5-methylthien-2-yl)methylamine hydrochloride; (5-Methylthien-2-yl)methylamine hydrochloride; 2-(Aminomethyl)-5-methylthiophene hydrochloride 97%

Database IDs

• CAS Number: 171661-55-5; 104163-34-0
• MDL Number: MFCD09817548
• PubChem SID: 162060362
• PubChem CID: 24229725

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.2637534
• LogD (pH = 7.4): 0.0010358741
• Log P: 1.6577564
• Molar Refractivity: 36.4776 cm^3
• Polarizability: 14.102385 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 191-193°C

Safety Information

• Storage Warning: IRRITANT; Toxic
• TSCA Listed: false

Product Information

• Purity: 97%