[2-amino-1-(3-methylthiophen-2-yl)ethyl]dimethylamine

• ChemBase ID: 308083
• Molecular Formular: C9H16N2S
• Molecular Mass: 184.30174
• Monoisotopic Mass: 184.10341952
• SMILES: c1(C(N(C)C)CN)c(ccs1)C
• Canonical SMILES: NCC(c1sccc1C)N(C)C
• InChI: InChI=1S/C9H16N2S/c1-7-4-5-12-9(7)8(6-10)11(2)3/h4-5,8H,6,10H2,1-3H3
• InChIKey: XSHCJTMLKPDFJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-amino-1-(3-methylthiophen-2-yl)ethyl]dimethylamine
• IUPAC Traditional name: [2-amino-1-(3-methylthiophen-2-yl)ethyl]dimethylamine
• Synonyms: N~1~,N~1~-dimethyl-1-(3-methyl-2-thienyl)-1,2-ethanediamine

Database IDs

• CAS Number: 954573-16-1
• MDL Number: MFCD09742354

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.4764
• LogD (pH = 7.4): -0.17186405
• Log P: 1.6037287
• Molar Refractivity: 54.1518 cm^3
• Polarizability: 21.153631 Å^3
• Polar Surface Area: 29.26 Å^2