AG80329
642411-11-8 | Diethyl 1-benzylazetidine-3,3-dicarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AG80329
ChemicalName
Diethyl 1-benzylazetidine-3,3-dicarboxylate
CasNumber
642411-11-8
MolecularFormula
C16H21NO4
MolecularWeight
291.3422
MdlNumber
MFCD17169917
Smiles
CCOC(=O)C1(CN(C1)Cc1ccccc1)C(=O)OCC
Complexity
351
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
5
RotatableBondCount
8
Xlogp3
2
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CatalogNumber: AG80329
ChemicalName: Diethyl 1-benzylazetidine-3,3-dicarboxylate
CasNumber: 642411-11-8
MolecularFormula: C16H21NO4
MolecularWeight: 291.3422
MdlNumber: MFCD17169917
Smiles: CCOC(=O)C1(CN(C1)Cc1ccccc1)C(=O)OCC
Complexity: 351
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 5
RotatableBondCount: 8
Xlogp3: 2
CatalogNumber:
AG80329
ChemicalName:
Diethyl 1-benzylazetidine-3,3-dicarboxylate
CasNumber:
642411-11-8
MolecularFormula:
C16H21NO4
MolecularWeight:
291.3422
MdlNumber:
MFCD17169917
Smiles:
CCOC(=O)C1(CN(C1)Cc1ccccc1)C(=O)OCC
Complexity:
351
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
5
RotatableBondCount:
8
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1nnc([nH]1)Cc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
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MdlNumber:
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Smiles:
CCOC(=O)c1nnc([nH]1)Cc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(C)(C)OC(=O)N1CC2CCCC2C1C(=O)O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
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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:
CC(C)(C)OC(=O)N1CC2CCCC2C1C(=O)O
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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Xlogp3:
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CatalogNumber: AG80333
ChemicalName: tert-Butyl 6-(hydroxymethyl)-3,4-dihydroisoquinoline-2(1h)-carboxylate
CasNumber: 622867-52-1
MolecularFormula: C15H21NO3
MolecularWeight: 263.3321
MdlNumber: MFCD12408124
Smiles: OCc1ccc2c(c1)CCN(C2)C(=O)OC(C)(C)C
Complexity: 324
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 1.8
CatalogNumber:
AG80333
ChemicalName:
tert-Butyl 6-(hydroxymethyl)-3,4-dihydroisoquinoline-2(1h)-carboxylate
CasNumber:
622867-52-1
MolecularFormula:
C15H21NO3
MolecularWeight:
263.3321
MdlNumber:
MFCD12408124
Smiles:
OCc1ccc2c(c1)CCN(C2)C(=O)OC(C)(C)C
Complexity:
324
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
1.8