methyl(thiophen-3-ylmethyl)amine hydrochloride

• ChemBase ID: 55601
• Molecular Formular: C6H10ClNS
• Molecular Mass: 163.6683
• Monoisotopic Mass: 163.02224801
• SMILES: c1(cscc1)CNC.Cl
• Canonical SMILES: CNCc1cscc1.Cl
• InChI: InChI=1S/C6H9NS.ClH/c1-7-4-6-2-3-8-5-6;/h2-3,5,7H,4H2,1H3;1H
• InChIKey: IPUQNHJAEFPRMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl(thiophen-3-ylmethyl)amine hydrochloride
• IUPAC Traditional name: methyl(thiophen-3-ylmethyl)amine hydrochloride
• Synonyms: N-Methyl-1-(3-thienyl)methanamine hydrochloride

Database IDs

• CAS Number: 210552-07-1
• MDL Number: MFCD03306022
• PubChem SID: 162060364
• PubChem CID: 17368893

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.8259667
• LogD (pH = 7.4): -0.5828826
• Log P: 1.3120366
• Molar Refractivity: 36.4118 cm^3
• Polarizability: 14.1804495 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false