AB79169
128-80-3 | 1,4-Bis(p-tolylamino)anthracene-9,10-dione
Manufacturer: A2B Chem
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CatalogNumber
AB79169
ChemicalName
1,4-Bis(p-tolylamino)anthracene-9,10-dione
CasNumber
128-80-3
MolecularFormula
C28H22N2O2
MolecularWeight
418.4865
MdlNumber
MFCD00001195
Smiles
Cc1ccc(cc1)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)Nc1ccc(cc1)C
NscNumber
84207
Complexity
619
Covalently-bondedUnitCount
1
HeavyAtomCount
32
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
4
Xlogp3
7.8
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CatalogNumber: AB79169
ChemicalName: 1,4-Bis(p-tolylamino)anthracene-9,10-dione
CasNumber: 128-80-3
MolecularFormula: C28H22N2O2
MolecularWeight: 418.4865
MdlNumber: MFCD00001195
Smiles: Cc1ccc(cc1)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)Nc1ccc(cc1)C
NscNumber: 84207
Complexity: 619
Covalently-bondedUnitCount: 1
HeavyAtomCount: 32
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: 7.8
CatalogNumber:
AB79169
ChemicalName:
1,4-Bis(p-tolylamino)anthracene-9,10-dione
CasNumber:
128-80-3
MolecularFormula:
C28H22N2O2
MolecularWeight:
418.4865
MdlNumber:
MFCD00001195
Smiles:
Cc1ccc(cc1)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)Nc1ccc(cc1)C
NscNumber:
84207
Complexity:
619
Covalently-bondedUnitCount:
1
HeavyAtomCount:
32
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
7.8
CatalogNumber: AB79170
ChemicalName: Solvent green 5
CasNumber: 2744-50-5
MolecularFormula: C30H28O4
MolecularWeight: 452.5409
MdlNumber: MFCD00191681
Smiles: CC(COC(=O)c1ccc2c3c1cccc3c1c3c2cccc3c(cc1)C(=O)OCC(C)C)C
NscNumber: __
Complexity: 682
Covalently-bondedUnitCount: 1
HeavyAtomCount: 34
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 8
Xlogp3: 8.1
CatalogNumber:
AB79170
ChemicalName:
Solvent green 5
CasNumber:
2744-50-5
MolecularFormula:
C30H28O4
MolecularWeight:
452.5409
MdlNumber:
MFCD00191681
Smiles:
CC(COC(=O)c1ccc2c3c1cccc3c1c3c2cccc3c(cc1)C(=O)OCC(C)C)C
NscNumber:
__
Complexity:
682
Covalently-bondedUnitCount:
1
HeavyAtomCount:
34
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
8
Xlogp3:
8.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Oc1cc(c2c3c1ccc1c3c(cc2)c(cc1S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Oc1cc(c2c3c1ccc1c3c(cc2)c(cc1S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccccc1N/N=C/1C(=O)C=Cc2c1cccc2
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ccccc1N/N=C/1C(=O)C=Cc2c1cccc2
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__