[2-amino-1-(thiophen-2-yl)ethyl]dimethylamine

• ChemBase ID: 122324
• Molecular Formular: C8H14N2S
• Molecular Mass: 170.27516
• Monoisotopic Mass: 170.08776946
• SMILES: c1(C(N(C)C)CN)sccc1
• Canonical SMILES: NCC(c1cccs1)N(C)C
• InChI: InChI=1S/C8H14N2S/c1-10(2)7(6-9)8-4-3-5-11-8/h3-5,7H,6,9H2,1-2H3
• InChIKey: RVHCVEZJFGCTCX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-amino-1-(thiophen-2-yl)ethyl]dimethylamine
• IUPAC Traditional name: [2-amino-1-(thiophen-2-yl)ethyl]dimethylamine
• Synonyms: N1,N1-dimethyl-1-(thiophen-2-yl)ethane-1,2-diamine; N~1~,N~1~-dimethyl-1-(2-thienyl)-1,2-ethanediamine; N-(2-amino-1-thien-2-ylethyl)-N,N-dimethylamine

Database IDs

• CAS Number: 790263-41-1
• MDL Number: MFCD06357356
• PubChem SID: 162216677
• PubChem CID: 3842630

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.779391
• LogD (pH = 7.4): -0.5359935
• Log P: 1.0903072
• Molar Refractivity: 49.1106 cm^3
• Polarizability: 19.395012 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 161 - 163°C
• Hydrophobicity(logP): 0.959

Product Information

• Purity: 95%