3-(Ethyl(4-((5-nitro-2,1-benzisothiazol-3-yl)azo)phenyl)amino)-N-(2-hydroxyethyl)-N-methylpropionamide

Base Information

• Chemical Name: 3-(Ethyl(4-((5-nitro-2,1-benzisothiazol-3-yl)azo)phenyl)amino)-N-(2-hydroxyethyl)-N-methylpropionamide
• CAS No.: 60810-05-1
• Molecular Formula: C21H24 N6 O4 S
• Molecular Weight: 456.51806
• European Community (EC) Number: 262-439-6
• DSSTox Substance ID: DTXSID80866828
• Nikkaji Number: J268.295H
• Mol file: 60810-05-1.mol

Synonyms:60810-05-1;EINECS 262-439-6;3-(Ethyl(4-((5-nitro-2,1-benzisothiazol-3-yl)azo)phenyl)amino)-N-(2-hydroxyethyl)-N-methylpropionamide;C21H24N6O4S;3-[ethyl[4-[(5-nitro-2,1-benzisothiazol-3-yl)azo]phenyl]amino]-N-(2-hydroxyethyl)-N-methylpropionamide;Propanamide, 3-(ethyl(4-((5-nitro-2,1-benzisothiazol-3-yl)azo)phenyl)amino)-N-(2-hydroxyethyl)-N-methyl-;Propanamide, 3-[ethyl[4-[(5-nitro-2,1-benzisothiazol-3-yl)azo]phenyl]amino]-N-(2-hydroxyethyl)-N-methyl-;Propanamide,3-[ethyl[4-[2-(5-nitro-2,1-benzisothiazol-3-yl)diazenyl]phenyl]amino]-N-(2-hydroxyethyl)-N-methyl-;DTXSID80866828;C21-H24-N6-O4-S;3-[Ethyl[4-[(5-nitro-2,1-benzisothiazol-3-yl)azo]phenyl]amino]-N-(2-hydroxyethyl)-N-methylpropanamide;N~3~-Ethyl-N-(2-hydroxyethyl)-N-methyl-N~3~-{4-[(5-nitro-2,1-benzothiazol-3-yl)diazenyl]phenyl}-beta-alaninamide;Propanamide, 3-[ethyl[4-[(5-nitro-2,1- benzisothiazol-3-yl)azo]phenyl]amino]-N-(2-hydroxyethyl )-N-methyl-

Chemical Property of 3-(Ethyl(4-((5-nitro-2,1-benzisothiazol-3-yl)azo)phenyl)amino)-N-(2-hydroxyethyl)-N-methylpropionamide

Chemical Property:

• Vapor Pressure: 2.92E-20mmHg at 25°C
• Boiling Point: 694.7°C at 760 mmHg
• PKA: 14.48±0.10(Predicted)
• Flash Point: 374°C
• PSA: 155.45000
• Density: 1.37g/cm³
• LogP: 4.81020
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 9
• Exact Mass: 456.15797444
• Heavy Atom Count: 32
• Complexity: 655

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CCC(=O)N(C)CCO)C1=CC=C(C=C1)N=NC2=C3C=C(C=CC3=NS2)[N+](=O)[O-]