AI62824
94-62-2 | (2E,4E)-5-(2H-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)penta-2,4-dien-1-one
Manufacturer: A2B Chem
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CatalogNumber
AI62824
ChemicalName
(2E,4E)-5-(2H-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)penta-2,4-dien-1-one
CasNumber
94-62-2
MolecularFormula
C17H19NO3
MolecularWeight
285.33765999999997
MdlNumber
MFCD00005839
Smiles
O=C(N1CCCCC1)/C=C/C=C/c1ccc2c(c1)OCO2
Complexity
412
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
2
HeavyAtomCount
21
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
3.5
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CatalogNumber: AI62824
ChemicalName: (2E,4E)-5-(2H-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)penta-2,4-dien-1-one
CasNumber: 94-62-2
MolecularFormula: C17H19NO3
MolecularWeight: 285.33765999999997
MdlNumber: MFCD00005839
Smiles: O=C(N1CCCCC1)/C=C/C=C/c1ccc2c(c1)OCO2
Complexity: 412
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 2
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 3.5
CatalogNumber:
AI62824
ChemicalName:
(2E,4E)-5-(2H-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)penta-2,4-dien-1-one
CasNumber:
94-62-2
MolecularFormula:
C17H19NO3
MolecularWeight:
285.33765999999997
MdlNumber:
MFCD00005839
Smiles:
O=C(N1CCCCC1)/C=C/C=C/c1ccc2c(c1)OCO2
Complexity:
412
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
2
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
3.5
CatalogNumber: AI62825
ChemicalName: N-Ethyl-2-methylaniline
CasNumber: 94-68-8
MolecularFormula: C9H13N
MolecularWeight: 135.2062
MdlNumber: MFCD00026695
Smiles: CCNc1ccccc1C
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AI62825
ChemicalName:
N-Ethyl-2-methylaniline
CasNumber:
94-68-8
MolecularFormula:
C9H13N
MolecularWeight:
135.2062
MdlNumber:
MFCD00026695
Smiles:
CCNc1ccccc1C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC1=CC=CC=C1O
Complexity: 93.3
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 1.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC1=CC=CC=C1O
Complexity:
93.3
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCOC(=O)COc1ccc(cc1Cl)Cl
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCOC(=O)COc1ccc(cc1Cl)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__