AC15330
863453-76-3 | 4-Nitro-N-[2-(pyrrolidin-1-yl)ethyl]aniline
Manufacturer: A2B Chem
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CatalogNumber
AC15330
ChemicalName
4-Nitro-N-[2-(pyrrolidin-1-yl)ethyl]aniline
CasNumber
863453-76-3
MolecularFormula
C12H17N3O2
MolecularWeight
235.2823
MdlNumber
MFCD17432990
Smiles
[O-][N+](=O)c1ccc(cc1)NCCN1CCCC1
Complexity
241
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
2.3
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CatalogNumber: AC15330
ChemicalName: 4-Nitro-N-[2-(pyrrolidin-1-yl)ethyl]aniline
CasNumber: 863453-76-3
MolecularFormula: C12H17N3O2
MolecularWeight: 235.2823
MdlNumber: MFCD17432990
Smiles: [O-][N+](=O)c1ccc(cc1)NCCN1CCCC1
Complexity: 241
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2.3
CatalogNumber:
AC15330
ChemicalName:
4-Nitro-N-[2-(pyrrolidin-1-yl)ethyl]aniline
CasNumber:
863453-76-3
MolecularFormula:
C12H17N3O2
MolecularWeight:
235.2823
MdlNumber:
MFCD17432990
Smiles:
[O-][N+](=O)c1ccc(cc1)NCCN1CCCC1
Complexity:
241
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2.3
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Smiles: CCCCCCOc1ccc(cc1)C(=O)Oc1ccc(cc1)OCCCCCCOC(=O)C=C
Complexity: __
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Smiles:
CCCCCCOc1ccc(cc1)C(=O)Oc1ccc(cc1)OCCCCCCOC(=O)C=C
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Smiles: [N-]=[N+]=Nc1ccc(cc1)C(=O)N1CCN(CC1)c1nc(N)c2c(n1)cc(c(c2)OC)OC
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[N-]=[N+]=Nc1ccc(cc1)C(=O)N1CCN(CC1)c1nc(N)c2c(n1)cc(c(c2)OC)OC
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Smiles: CC(=O)OCC1O[C@@H](O[C@H]2[C@H]3OC(OCC3O[C@@H]([C@H]2NC(=O)C)OCc2ccccc2)c2ccccc2)[C@H]([C@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CC(=O)OCC1O[C@@H](O[C@H]2[C@H]3OC(OCC3O[C@@H]([C@H]2NC(=O)C)OCc2ccccc2)c2ccccc2)[C@H]([C@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__