AA54744
1219153-60-2 | 1-Benzyl 3-methyl piperazine-1,3-dicarboxylate hydrochloride
Manufacturer: A2B Chem
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CatalogNumber
AA54744
ChemicalName
1-Benzyl 3-methyl piperazine-1,3-dicarboxylate hydrochloride
CasNumber
1219153-60-2
MolecularFormula
C14H19ClN2O4
MolecularWeight
314.7647
MdlNumber
MFCD11101376
Smiles
COC(=O)C1NCCN(C1)C(=O)OCc1ccccc1.Cl
Complexity
342
Covalently-bondedUnitCount
2
HeavyAtomCount
21
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
5
UndefinedAtomStereocenterCount
1
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CatalogNumber: AA54744
ChemicalName: 1-Benzyl 3-methyl piperazine-1,3-dicarboxylate hydrochloride
CasNumber: 1219153-60-2
MolecularFormula: C14H19ClN2O4
MolecularWeight: 314.7647
MdlNumber: MFCD11101376
Smiles: COC(=O)C1NCCN(C1)C(=O)OCc1ccccc1.Cl
Complexity: 342
Covalently-bondedUnitCount: 2
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 1
CatalogNumber:
AA54744
ChemicalName:
1-Benzyl 3-methyl piperazine-1,3-dicarboxylate hydrochloride
CasNumber:
1219153-60-2
MolecularFormula:
C14H19ClN2O4
MolecularWeight:
314.7647
MdlNumber:
MFCD11101376
Smiles:
COC(=O)C1NCCN(C1)C(=O)OCc1ccccc1.Cl
Complexity:
342
Covalently-bondedUnitCount:
2
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
1
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Smiles: CC1OCCN(C1)S(=O)(=O)c1ccccc1
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Smiles:
CC1OCCN(C1)S(=O)(=O)c1ccccc1
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Smiles: O=C(NC(C(=O)O)Cc1c[nH]c2c1cccn2)OCC1c2ccccc2-c2c1cccc2
Complexity: __
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Smiles:
O=C(NC(C(=O)O)Cc1c[nH]c2c1cccn2)OCC1c2ccccc2-c2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
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CasNumber: __
MolecularFormula: __
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Smiles: OC(=O)C1CCCC(N1)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)C1CCCC(N1)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__