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N,N'-Bis(4-methoxy-2-methylphenyl)-N,N'-diphenylbenzidine - >98.0%(HPLC)(N), high purity , CAS No.169685-34-1
Basic Description
Synonyms | AS-82575 | T70407 | N,N'-Bis(2-methyl-4-methoxyphenyl)-N,N'-diphenylbenzidine | B5140 | N,N'-Bis(4-methoxy-2-methylphenyl)-N,N'-diphenylbenzidine (purified by sublimation) | SCHEMBL2734807 | N4,N4'-BIS(4-METHOXY-2-METHYLPHENYL)-N4,N4'-DIPHENYL-[1,1'-BIPHE |
Specifications & Purity | ≥98%(HPLC)(N) |
Shipped In | Normal |
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Names and Identifiers
IUPAC Name | 4-methoxy-N-[4-[4-(N-(4-methoxy-2-methylphenyl)anilino)phenyl]phenyl]-2-methyl-N-phenylaniline |
INCHI | InChI=1S/C40H36N2O2/c1-29-27-37(43-3)23-25-39(29)41(33-11-7-5-8-12-33)35-19-15-31(16-20-35)32-17-21-36(22-18-32)42(34-13-9-6-10-14-34)40-26-24-38(44-4)28-30(40)2/h5-28H,1-4H3 |
InChi Key | HACXFZALVVMGPO-UHFFFAOYSA-N |
Canonical SMILES | CC1=C(C=CC(=C1)OC)N(C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)N(C5=CC=CC=C5)C6=C(C=C(C=C6)OC)C |
Isomeric SMILES | CC1=C(C=CC(=C1)OC)N(C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)N(C5=CC=CC=C5)C6=C(C=C(C=C6)OC)C |
PubChem CID | 23517938 |
Molecular Weight | 576.74 |
Reaxy-Rn | 20084608 |
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Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C) | 160 °C |
Molecular Weight | 576.700 g/mol |
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XLogP3 | 10.700 |
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Hydrogen Bond Donor Count | 0 |
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Hydrogen Bond Acceptor Count | 4 |
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Rotatable Bond Count | 9 |
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Exact Mass | 576.278 Da |
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Monoisotopic Mass | 576.278 Da |
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Topological Polar Surface Area | 24.900 Ų |
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Heavy Atom Count | 44 |
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Formal Charge | 0 |
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Complexity | 755.000 |
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Isotope Atom Count | 0 |
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Defined Atom Stereocenter Count | 0 |
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Undefined Atom Stereocenter Count | 0 |
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Defined Bond Stereocenter Count | 0 |
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Undefined Bond Stereocenter Count | 0 |
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The total count of all stereochemical bonds | 0 |
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Covalently-Bonded Unit Count | 1 |
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