[2-(4-Methoxy-phenyl)-ethyl]-(4-methylsulfanyl-benzyl)-amine

Base Information

• Chemical Name: [2-(4-Methoxy-phenyl)-ethyl]-(4-methylsulfanyl-benzyl)-amine
• CAS No.: 331970-71-9
• Molecular Formula: C17H21NOS
• Molecular Weight: 287.42
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID90364608
• Wikidata: Q82148655
• ChEMBL ID: CHEMBL1327264
• Mol file: 331970-71-9.mol

Synonyms:331970-71-9;[2-(4-Methoxy-phenyl)-ethyl]-(4-methylsulfanyl-benzyl)-amine;2-(4-methoxyphenyl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine;2-(4-methoxyphenyl)-n-[4-(methylthio)benzyl]ethanamine;2-(4-Methoxyphenyl)-N-(4-(methylthio)benzyl)ethanamine;2-(4-methoxyphenyl)-N-[4-(methylsulfanyl)benzyl]ethanamine;SMR000178108;MLS000553338;CHEMBL1327264;DTXSID90364608;HMS2492B24;BBL013840;STK171197;AKOS000300416;CS-0332918;FT-0677103;A875383;2-(4-Methoxyphenyl)-N-(4-(methylthio)benzyl)ethan-1-amine;2-(4-Methoxyphenyl)-N-{[4-(methylsulfanyl)phenyl]methyl}ethan-1-amine

Chemical Property of [2-(4-Methoxy-phenyl)-ethyl]-(4-methylsulfanyl-benzyl)-amine

Chemical Property:

• Vapor Pressure: 1.26E-07mmHg at 25°C
• Boiling Point: 430.8°C at 760 mmHg
• Flash Point: 214.3°C
• PSA: 46.56000
• Density: 1.1g/cm³
• LogP: 4.14030
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 287.13438547
• Heavy Atom Count: 20
• Complexity: 245

Purity/Quality:

98%min ^*data from raw suppliers

[2-(4-Methoxy-phenyl)-ethyl]-(4-methylsulfanyl-benzyl)-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)CCNCC2=CC=C(C=C2)SC