AA39637
130636-61-2 | 4-(4-Nitrobenzyl)piperazine-1-carboxylic acid tert-butyl ester
Manufacturer: A2B Chem
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CatalogNumber
AA39637
ChemicalName
4-(4-Nitrobenzyl)piperazine-1-carboxylic acid tert-butyl ester
CasNumber
130636-61-2
MolecularFormula
C16H23N3O4
MolecularWeight
321.3715
MdlNumber
MFCD03407491
Smiles
O=C(N1CCN(CC1)Cc1ccc(cc1)[N+](=O)[O-])OC(C)(C)C
Complexity
414
Covalently-bondedUnitCount
1
HeavyAtomCount
23
HydrogenBondAcceptorCount
5
RotatableBondCount
4
Xlogp3
2.2
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CatalogNumber: AA39637
ChemicalName: 4-(4-Nitrobenzyl)piperazine-1-carboxylic acid tert-butyl ester
CasNumber: 130636-61-2
MolecularFormula: C16H23N3O4
MolecularWeight: 321.3715
MdlNumber: MFCD03407491
Smiles: O=C(N1CCN(CC1)Cc1ccc(cc1)[N+](=O)[O-])OC(C)(C)C
Complexity: 414
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 5
RotatableBondCount: 4
Xlogp3: 2.2
CatalogNumber:
AA39637
ChemicalName:
4-(4-Nitrobenzyl)piperazine-1-carboxylic acid tert-butyl ester
CasNumber:
130636-61-2
MolecularFormula:
C16H23N3O4
MolecularWeight:
321.3715
MdlNumber:
MFCD03407491
Smiles:
O=C(N1CCN(CC1)Cc1ccc(cc1)[N+](=O)[O-])OC(C)(C)C
Complexity:
414
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
5
RotatableBondCount:
4
Xlogp3:
2.2
CatalogNumber: AA39638
ChemicalName: tert-Butyl 4-[2-(4-nitrophenyl)ethyl]piperazine-1-carboxylate
CasNumber: 130636-60-1
MolecularFormula: C17H25N3O4
MolecularWeight: 335.3981
MdlNumber: MFCD12963748
Smiles: O=C(N1CCN(CC1)CCc1ccc(cc1)[N+](=O)[O-])OC(C)(C)C
Complexity: 428
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 5
RotatableBondCount: 5
Xlogp3: 2.7
CatalogNumber:
AA39638
ChemicalName:
tert-Butyl 4-[2-(4-nitrophenyl)ethyl]piperazine-1-carboxylate
CasNumber:
130636-60-1
MolecularFormula:
C17H25N3O4
MolecularWeight:
335.3981
MdlNumber:
MFCD12963748
Smiles:
O=C(N1CCN(CC1)CCc1ccc(cc1)[N+](=O)[O-])OC(C)(C)C
Complexity:
428
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
5
RotatableBondCount:
5
Xlogp3:
2.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1cccc2c1c(O)ccn2
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
Nc1cccc2c1c(O)ccn2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1ccc(cc1)Nc1ccc(cc1)Cl
Complexity: 182
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 3.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1ccc(cc1)Nc1ccc(cc1)Cl
Complexity:
182
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
3.4