AB45448
29512-49-0 | 7-Anilino-3-diethylamino-6-methyl fluoran
Manufacturer: A2B Chem
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CatalogNumber
AB45448
ChemicalName
7-Anilino-3-diethylamino-6-methyl fluoran
CasNumber
29512-49-0
MolecularFormula
C31H28N2O3
MolecularWeight
476.5656
MdlNumber
MFCD00603523
Smiles
CCN(c1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)cc(c(c1)C)Nc1ccccc1)CC
Complexity
780
Covalently-bondedUnitCount
1
HeavyAtomCount
36
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
5
UndefinedAtomStereocenterCount
1
Xlogp3
6.9
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CatalogNumber: AB45448
ChemicalName: 7-Anilino-3-diethylamino-6-methyl fluoran
CasNumber: 29512-49-0
MolecularFormula: C31H28N2O3
MolecularWeight: 476.5656
MdlNumber: MFCD00603523
Smiles: CCN(c1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)cc(c(c1)C)Nc1ccccc1)CC
Complexity: 780
Covalently-bondedUnitCount: 1
HeavyAtomCount: 36
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 1
Xlogp3: 6.9
CatalogNumber:
AB45448
ChemicalName:
7-Anilino-3-diethylamino-6-methyl fluoran
CasNumber:
29512-49-0
MolecularFormula:
C31H28N2O3
MolecularWeight:
476.5656
MdlNumber:
MFCD00603523
Smiles:
CCN(c1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)cc(c(c1)C)Nc1ccccc1)CC
Complexity:
780
Covalently-bondedUnitCount:
1
HeavyAtomCount:
36
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
1
Xlogp3:
6.9
CatalogNumber: AB45449
ChemicalName: 7-Azaindole
CasNumber: 271-63-6
MolecularFormula: C7H6N2
MolecularWeight: 118.1359
MdlNumber: MFCD00005606
Smiles: c1cnc2c(c1)cc[nH]2
Complexity: 103
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 1.8
CatalogNumber:
AB45449
ChemicalName:
7-Azaindole
CasNumber:
271-63-6
MolecularFormula:
C7H6N2
MolecularWeight:
118.1359
MdlNumber:
MFCD00005606
Smiles:
c1cnc2c(c1)cc[nH]2
Complexity:
103
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.8
CatalogNumber: AB45450
ChemicalName: 7-Bromo-1,2,3,4-tetrahydroisoquinoline, HCl
CasNumber: 220247-73-4
MolecularFormula: C9H11BrClN
MolecularWeight: 248.5473
MdlNumber: MFCD03094742
Smiles: Brc1ccc2c(c1)CNCC2.Cl
Complexity: 138
Covalently-bondedUnitCount: 2
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 2
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
AB45450
ChemicalName:
7-Bromo-1,2,3,4-tetrahydroisoquinoline, HCl
CasNumber:
220247-73-4
MolecularFormula:
C9H11BrClN
MolecularWeight:
248.5473
MdlNumber:
MFCD03094742
Smiles:
Brc1ccc2c(c1)CNCC2.Cl
Complexity:
138
Covalently-bondedUnitCount:
2
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
2
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1ccc2c(c1)c(Cl)ccc2
Complexity: 160
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 4.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1ccc2c(c1)c(Cl)ccc2
Complexity:
160
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
4.6