AA47457
132521-70-1 | 6-(4-Methylpiperazin-1-yl)nicotinic acid
Manufacturer: A2B Chem
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CatalogNumber
AA47457
ChemicalName
6-(4-Methylpiperazin-1-yl)nicotinic acid
CasNumber
132521-70-1
MolecularFormula
C11H15N3O2
MolecularWeight
221.2557
MdlNumber
MFCD07376841
Smiles
CN1CCN(CC1)c1ccc(cn1)C(=O)O
Complexity
252
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
-1.6
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CatalogNumber: AA47457
ChemicalName: 6-(4-Methylpiperazin-1-yl)nicotinic acid
CasNumber: 132521-70-1
MolecularFormula: C11H15N3O2
MolecularWeight: 221.2557
MdlNumber: MFCD07376841
Smiles: CN1CCN(CC1)c1ccc(cn1)C(=O)O
Complexity: 252
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: -1.6
CatalogNumber:
AA47457
ChemicalName:
6-(4-Methylpiperazin-1-yl)nicotinic acid
CasNumber:
132521-70-1
MolecularFormula:
C11H15N3O2
MolecularWeight:
221.2557
MdlNumber:
MFCD07376841
Smiles:
CN1CCN(CC1)c1ccc(cn1)C(=O)O
Complexity:
252
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
-1.6
CatalogNumber: AA47458
ChemicalName: 2,4-Dichloro-3-nitroquinoline
CasNumber: 132521-66-5
MolecularFormula: C9H4Cl2N2O2
MolecularWeight: 243.0463
MdlNumber: MFCD05666285
Smiles: [O-][N+](=O)c1c(Cl)nc2c(c1Cl)cccc2
Complexity: 259
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.6
CatalogNumber:
AA47458
ChemicalName:
2,4-Dichloro-3-nitroquinoline
CasNumber:
132521-66-5
MolecularFormula:
C9H4Cl2N2O2
MolecularWeight:
243.0463
MdlNumber:
MFCD05666285
Smiles:
[O-][N+](=O)c1c(Cl)nc2c(c1Cl)cccc2
Complexity:
259
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCOC(=O)[C@H](CC)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCOC(=O)[C@H](CC)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc2c(c1)c(O)cc(=O)o2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc2c(c1)c(O)cc(=O)o2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__