AI55455
721450-32-4 | Benzyl 4-cyanopiperazine-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI55455
ChemicalName
Benzyl 4-cyanopiperazine-1-carboxylate
CasNumber
721450-32-4
MolecularFormula
C13H15N3O2
MolecularWeight
245.2771
MdlNumber
MFCD28991988
Smiles
N#CN1CCN(CC1)C(=O)OCc1ccccc1
Complexity
322
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
RotatableBondCount
3
Xlogp3
1.7
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CatalogNumber: AI55455
ChemicalName: Benzyl 4-cyanopiperazine-1-carboxylate
CasNumber: 721450-32-4
MolecularFormula: C13H15N3O2
MolecularWeight: 245.2771
MdlNumber: MFCD28991988
Smiles: N#CN1CCN(CC1)C(=O)OCc1ccccc1
Complexity: 322
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 1.7
CatalogNumber:
AI55455
ChemicalName:
Benzyl 4-cyanopiperazine-1-carboxylate
CasNumber:
721450-32-4
MolecularFormula:
C13H15N3O2
MolecularWeight:
245.2771
MdlNumber:
MFCD28991988
Smiles:
N#CN1CCN(CC1)C(=O)OCc1ccccc1
Complexity:
322
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
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Smiles: COC(=O)c1ccc(cc1)OCCC(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
COC(=O)c1ccc(cc1)OCCC(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
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Smiles: N[C@H]([C@H](CC(=O)O)O)Cc1ccccc1
Complexity: 202
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: -2.1
CatalogNumber:
__
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
N[C@H]([C@H](CC(=O)O)O)Cc1ccccc1
Complexity:
202
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
-2.1
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Smiles: [O-][N+](=O)c1cc2NCCc2cc1Br
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
[O-][N+](=O)c1cc2NCCc2cc1Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__