AA53876
1217471-97-0 | (S)-1-Benzyl 3-methyl piperazine-1,3-dicarboxylate hydrochloride
Manufacturer: A2B Chem
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CatalogNumber
AA53876
ChemicalName
(S)-1-Benzyl 3-methyl piperazine-1,3-dicarboxylate hydrochloride
CasNumber
1217471-97-0
MolecularFormula
C14H19ClN2O4
MolecularWeight
314.7647
MdlNumber
MFCD08062248
Smiles
COC(=O)[C@H]1NCCN(C1)C(=O)OCc1ccccc1.Cl
Complexity
342
Covalently-bondedUnitCount
2
DefinedAtomStereocenterCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
5
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CatalogNumber: AA53876
ChemicalName: (S)-1-Benzyl 3-methyl piperazine-1,3-dicarboxylate hydrochloride
CasNumber: 1217471-97-0
MolecularFormula: C14H19ClN2O4
MolecularWeight: 314.7647
MdlNumber: MFCD08062248
Smiles: COC(=O)[C@H]1NCCN(C1)C(=O)OCc1ccccc1.Cl
Complexity: 342
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 5
CatalogNumber:
AA53876
ChemicalName:
(S)-1-Benzyl 3-methyl piperazine-1,3-dicarboxylate hydrochloride
CasNumber:
1217471-97-0
MolecularFormula:
C14H19ClN2O4
MolecularWeight:
314.7647
MdlNumber:
MFCD08062248
Smiles:
COC(=O)[C@H]1NCCN(C1)C(=O)OCc1ccccc1.Cl
Complexity:
342
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
5
CatalogNumber: __
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Smiles: OC(=O)C[C@H](NC(=O)OCc1ccccc1)CNC(=O)OCC1c2ccccc2-c2c1cccc2
Complexity: __
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Smiles:
OC(=O)C[C@H](NC(=O)OCc1ccccc1)CNC(=O)OCC1c2ccccc2-c2c1cccc2
Complexity:
__
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Smiles: C[C@@H](c1cccc(c1)N(C)C)N
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Smiles:
C[C@@H](c1cccc(c1)N(C)C)N
Complexity:
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Covalently-bondedUnitCount:
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DefinedAtomStereocenterCount:
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HeavyAtomCount:
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HydrogenBondDonorCount:
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Smiles: C1CN[C@H](CN1)Cc1ccccn1
Complexity: __
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DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
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ChemicalName:
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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:
C1CN[C@H](CN1)Cc1ccccn1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__