2-(4-(Heptylthio)-2,5-dimethoxyphenyl)ethylamine maleate

Base Information

• Chemical Name: 2-(4-(Heptylthio)-2,5-dimethoxyphenyl)ethylamine maleate
• CAS No.: 129658-28-2
• Molecular Formula: C21H33NO6S
• Molecular Weight: 427.559
• Mol file: 129658-28-2.mol

Synonyms:2-(4-(Heptylthio)-2,5-dimethoxyphenyl)ethylamine maleate;129658-28-2;2,5-Dimethoxy-4-(heptylthio)benzeneethanamine (Z)-2-butenedioate (1:1);Benzeneethanamine, 2,5-dimethoxy-4-(heptylthio)-, (Z)-2-butenedioate (1:1);(E)-but-2-enedioic acid;2-(4-heptylsulfanyl-2,5-dimethoxyphenyl)ethanamine;LS-30112

Chemical Property of 2-(4-(Heptylthio)-2,5-dimethoxyphenyl)ethylamine maleate

Chemical Property:

• Vapor Pressure: 1.28E-07mmHg at 25°C
• Boiling Point: 430.6°C at 760 mmHg
• Flash Point: 214.2°C
• PSA: 144.38000
• LogP: 4.67960
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 13
• Exact Mass: 427.20285895
• Heavy Atom Count: 29
• Complexity: 372

Purity/Quality:

BENZENEETHANAMINE, 2,5-DIMETHOXY-4-(HEPTYLTHIO)-, (Z)-2-BUTENEDIOATE (1:1) 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCSC1=C(C=C(C(=C1)OC)CCN)OC.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: CCCCCCCSC1=C(C=C(C(=C1)OC)CCN)OC.C(=C/C(=O)O)\C(=O)O

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