8-((2-Methoxy-3-((4-phenylbutyl)amino)propyl)oxy)thiochroman fumarate

Base Information

• Chemical Name: 8-((2-Methoxy-3-((4-phenylbutyl)amino)propyl)oxy)thiochroman fumarate
• CAS No.: 153804-72-9
• Molecular Formula: C27H35NO6S
• Molecular Weight: 501.6349
• Mol file: 153804-72-9.mol

Synonyms:8-((2-Methoxy-3-((4-phenylbutyl)amino)propyl)oxy)thiochroman fumarate;Benzenebutanamine, N-(3-((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)-2-methoxypropyl)-, (E)-2-butenedioate (1:1);153804-72-9;C23H31NO2S.C4H4O4;LS-29300;C23-H31-N-O2-S.C4-H4-O4

Chemical Property of 8-((2-Methoxy-3-((4-phenylbutyl)amino)propyl)oxy)thiochroman fumarate

Chemical Property:

• Vapor Pressure: 8.68E-12mmHg at 25°C
• Boiling Point: 541.5°C at 760 mmHg
• Flash Point: 281.3°C
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 13
• Exact Mass: 501.21850901
• Heavy Atom Count: 35
• Complexity: 508

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(CNCCCCC1=CC=CC=C1)COC2=CC=CC3=C2SCCC3.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: COC(CNCCCCC1=CC=CC=C1)COC2=CC=CC3=C2SCCC3.C(=C/C(=O)O)\C(=O)O

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