1,5-Naphthalenedisulfonic acid, 3-[(4-amino-5-methoxy-2-methylphenyl)azo]-

Base Information

• Chemical Name: 1,5-Naphthalenedisulfonic acid, 3-[(4-amino-5-methoxy-2-methylphenyl)azo]-
• CAS No.: 61827-75-6
• Deprecated CAS: 187674-77-7
• Molecular Formula: C18H17 N3 O7 S2
• Molecular Weight: 451.47348
• European Community (EC) Number: 263-264-8
• DSSTox Substance ID: DTXSID3069510
• Nikkaji Number: J32.327F
• Mol file: 61827-75-6.mol

Synonyms:61827-75-6;EINECS 263-264-8;3-((4-Amino-5-methoxy-o-tolyl)azo)-1,5-naphthalenesulfonic acid;1,5-Naphthalenedisulfonic acid, 3-[(4-amino-5-methoxy-2-methylphenyl)azo]-;3-((4-Amino-5-methoxy-o-tolyl)azo)-1,5-naphthalenedisulfonic acid;3-((4-Amino-5-methoxy-o-tolyl)azo)naphthalene-1,5-disulphonic acid;3-[(4-Amino-5-methoxy-o-tolyl)azo]naphthalene-1,5-disulphonic acid;1,5-Naphthalenedisulfonic acid, 3-((4-amino-5-methoxy-2-methylphenyl)azo)-;1,5-Naphthalenedisulfonic acid, 3-(2-(4-amino-5-methoxy-2-methylphenyl)diazenyl)-;SCHEMBL6836578;DTXSID3069510;W-111199;3-(4-Amino-5-methoxy-2-methylphenylazo)-1,5-naphthalenedisulfonic acid

Chemical Property of 1,5-Naphthalenedisulfonic acid, 3-[(4-amino-5-methoxy-2-methylphenyl)azo]-

Chemical Property:

• PKA: -0.72±0.40(Predicted)
• PSA: 185.47000
• Density: 1.59g/cm³
• LogP: 6.39060
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 5
• Exact Mass: 451.05079224
• Heavy Atom Count: 30
• Complexity: 837

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1N=NC2=CC3=C(C=CC=C3S(=O)(=O)O)C(=C2)S(=O)(=O)O)OC)N