AB43820
89331-94-2 | 2-Anilino-6-dibutylamino-3-methylfluoran
Manufacturer: A2B Chem
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CatalogNumber
AB43820
ChemicalName
2-Anilino-6-dibutylamino-3-methylfluoran
CasNumber
89331-94-2
MolecularFormula
C35H36N2O3
MolecularWeight
532.6719
MdlNumber
MFCD00307579
Smiles
CCCCN(c1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)cc(c(c1)C)Nc1ccccc1)CCCC
Complexity
837
Covalently-bondedUnitCount
1
HeavyAtomCount
40
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
9
UndefinedAtomStereocenterCount
1
Xlogp3
8.7
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CatalogNumber: AB43820
ChemicalName: 2-Anilino-6-dibutylamino-3-methylfluoran
CasNumber: 89331-94-2
MolecularFormula: C35H36N2O3
MolecularWeight: 532.6719
MdlNumber: MFCD00307579
Smiles: CCCCN(c1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)cc(c(c1)C)Nc1ccccc1)CCCC
Complexity: 837
Covalently-bondedUnitCount: 1
HeavyAtomCount: 40
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 9
UndefinedAtomStereocenterCount: 1
Xlogp3: 8.7
CatalogNumber:
AB43820
ChemicalName:
2-Anilino-6-dibutylamino-3-methylfluoran
CasNumber:
89331-94-2
MolecularFormula:
C35H36N2O3
MolecularWeight:
532.6719
MdlNumber:
MFCD00307579
Smiles:
CCCCN(c1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)cc(c(c1)C)Nc1ccccc1)CCCC
Complexity:
837
Covalently-bondedUnitCount:
1
HeavyAtomCount:
40
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
9
UndefinedAtomStereocenterCount:
1
Xlogp3:
8.7
CatalogNumber: AB43821
ChemicalName: 2-Azabicyclo[2.2.1]hept-5-en-3-one
CasNumber: 49805-30-3
MolecularFormula: C6H7NO
MolecularWeight: 109.1259
MdlNumber: MFCD00213364
Smiles: C1C2C=CC1NC2=O
Complexity: 162
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: __
UndefinedAtomStereocenterCount: 2
Xlogp3: 0.1
CatalogNumber:
AB43821
ChemicalName:
2-Azabicyclo[2.2.1]hept-5-en-3-one
CasNumber:
49805-30-3
MolecularFormula:
C6H7NO
MolecularWeight:
109.1259
MdlNumber:
MFCD00213364
Smiles:
C1C2C=CC1NC2=O
Complexity:
162
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
2
Xlogp3:
0.1
CatalogNumber: AB43822
ChemicalName: 2-Azetidinone
CasNumber: 930-21-2
MolecularFormula: C3H5NO
MolecularWeight: 71.0779
MdlNumber: MFCD00013328
Smiles: C1CNC1=O
Complexity: 59.9
Covalently-bondedUnitCount: 1
HeavyAtomCount: 5
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: -0.8
CatalogNumber:
AB43822
ChemicalName:
2-Azetidinone
CasNumber:
930-21-2
MolecularFormula:
C3H5NO
MolecularWeight:
71.0779
MdlNumber:
MFCD00013328
Smiles:
C1CNC1=O
Complexity:
59.9
Covalently-bondedUnitCount:
1
HeavyAtomCount:
5
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
-0.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C=C(C(=O)O)Cc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C=C(C(=O)O)Cc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__