AH96989
941295-31-4 | tert-Butyl 3,9-diazabicyclo[3.3.1]nonane-9-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AH96989
ChemicalName
tert-Butyl 3,9-diazabicyclo[3.3.1]nonane-9-carboxylate
CasNumber
941295-31-4
MolecularFormula
C12H22N2O2
MolecularWeight
226.3153
MdlNumber
MFCD20441693
Smiles
O=C(N1C2CCCC1CNC2)OC(C)(C)C
Complexity
261
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
UndefinedAtomStereocenterCount
2
Xlogp3
1.4
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CatalogNumber: AH96989
ChemicalName: tert-Butyl 3,9-diazabicyclo[3.3.1]nonane-9-carboxylate
CasNumber: 941295-31-4
MolecularFormula: C12H22N2O2
MolecularWeight: 226.3153
MdlNumber: MFCD20441693
Smiles: O=C(N1C2CCCC1CNC2)OC(C)(C)C
Complexity: 261
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 2
Xlogp3: 1.4
CatalogNumber:
AH96989
ChemicalName:
tert-Butyl 3,9-diazabicyclo[3.3.1]nonane-9-carboxylate
CasNumber:
941295-31-4
MolecularFormula:
C12H22N2O2
MolecularWeight:
226.3153
MdlNumber:
MFCD20441693
Smiles:
O=C(N1C2CCCC1CNC2)OC(C)(C)C
Complexity:
261
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
2
Xlogp3:
1.4
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Smiles: CC(=O)OC1Cc2c(C1)cc(c(c2)Br)Br
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Smiles:
CC(=O)OC1Cc2c(C1)cc(c(c2)Br)Br
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Smiles: NCc1ccc2c(c1)nc(o2)C
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Smiles:
NCc1ccc2c(c1)nc(o2)C
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HydrogenBondAcceptorCount:
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UndefinedAtomStereocenterCount:
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Xlogp3:
__
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Smiles: NCc1ccc2c(c1)nc(o2)C.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCc1ccc2c(c1)nc(o2)C.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__