3-(3-Amino-3-oxopropyl)-2-((4-(bis(2-chloroethyl)amino)phenyl)azo)-6-methoxybenzothiazolium chloride

Base Information

• Chemical Name: 3-(3-Amino-3-oxopropyl)-2-((4-(bis(2-chloroethyl)amino)phenyl)azo)-6-methoxybenzothiazolium chloride
• CAS No.: 12221-37-3
• Molecular Formula: C21H24 Cl2 N5 O2 S . Cl
• Molecular Weight: 516.87156
• European Community (EC) Number: 235-410-0
• Mol file: 12221-37-3.mol

Synonyms:12221-37-3;EINECS 235-410-0;3-(3-Amino-3-oxopropyl)-2-((4-(bis(2-chloroethyl)amino)phenyl)azo)-6-methoxybenzothiazolium chloride;3-(3-amino-3-oxopropyl)-2-[[4-[bis(2-chloroethyl)amino]phenyl]azo]-6-methoxybenzothiazolium chloride;3-[2-[[4-[bis(2-chloroethyl)amino]phenyl]diazenyl]-6-methoxy-1,3-benzothiazol-3-ium-3-yl]propanamide;chloride;NS00052564

Chemical Property of 3-(3-Amino-3-oxopropyl)-2-((4-(bis(2-chloroethyl)amino)phenyl)azo)-6-methoxybenzothiazolium chloride

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 112.40000
• Density: g/cm³
• LogP: 2.47650
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 11
• Exact Mass: 515.071629
• Heavy Atom Count: 32
• Complexity: 588

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC2=C(C=C1)[N+](=C(S2)N=NC3=CC=C(C=C3)N(CCCl)CCCl)CCC(=O)N.[Cl-]

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