[2-(dimethylamino)ethyl](thiophen-3-ylmethyl)amine

• ChemBase ID: 312593
• Molecular Formular: C9H16N2S
• Molecular Mass: 184.30174
• Monoisotopic Mass: 184.10341952
• SMILES: c1(cscc1)CNCCN(C)C
• Canonical SMILES: CN(CCNCc1cscc1)C
• InChI: InChI=1S/C9H16N2S/c1-11(2)5-4-10-7-9-3-6-12-8-9/h3,6,8,10H,4-5,7H2,1-2H3
• InChIKey: AQFCIMZHLZBDBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(dimethylamino)ethyl](thiophen-3-ylmethyl)amine
• IUPAC Traditional name: [2-(dimethylamino)ethyl](thiophen-3-ylmethyl)amine
• Synonyms: N,N-dimethyl-N'-(3-thienylmethyl)-1,2-ethanediamine

Database IDs

• CAS Number: 892593-13-4
• MDL Number: MFCD07411620

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.9374266
• LogD (pH = 7.4): -0.46120888
• Log P: 1.3306811
• Molar Refractivity: 54.4309 cm^3
• Polarizability: 21.236156 Å^3
• Polar Surface Area: 15.27 Å^2