methyl(thiophen-2-ylmethyl)amine hydrochloride

• ChemBase ID: 254635
• Molecular Formular: C6H10ClNS
• Molecular Mass: 163.6683
• Monoisotopic Mass: 163.02224801
• SMILES: s1c(ccc1)CNC.Cl
• Canonical SMILES: CNCc1cccs1.Cl
• InChI: InChI=1S/C6H9NS.ClH/c1-7-5-6-3-2-4-8-6;/h2-4,7H,5H2,1H3;1H
• InChIKey: PTOIDTSLBDDEGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl(thiophen-2-ylmethyl)amine hydrochloride; methyl[(thiophen-2-yl)methyl]amine hydrochloride
• IUPAC Traditional name: methyl(thiophen-2-ylmethyl)amine hydrochloride
• Synonyms: N-methyl-1-(2-thienyl)methanamine hydrochloride; N-Methyl-1-(thiophen-2-yl)methanamine hydrochloride; methyl(thiophen-2-ylmethyl)amine hydrochloride; Methyl-thiophen-2-ylmethyl-amine hydrochloride; N-METHYL-(2-THIENYLMETHYL)AMINE HYDROCHLORIDE

Database IDs

• CAS Number: 7404-67-3; 58255-18-8
• MDL Number: MFCD03306020
• PubChem SID: 164310545
• PubChem CID: 458574

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.6698753
• LogD (pH = 7.4): -0.3545153
• Log P: 1.444476
• Molar Refractivity: 36.1959 cm^3
• Polarizability: 14.183092 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 194 - 196°C
• Hydrophobicity(logP): 1.156

Product Information

• Purity: 95%; 95+%; 96%; 98%