AA25265
1228780-72-0 | 1-((4'-Chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazine
Manufacturer: A2B Chem
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CatalogNumber
AA25265
ChemicalName
1-((4'-Chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazine
CasNumber
1228780-72-0
MolecularFormula
C19H27ClN2
MolecularWeight
318.8841
MdlNumber
MFCD28129720
Smiles
Clc1ccc(cc1)C1=C(CCC(C1)(C)C)CN1CCNCC1
Complexity
402
Covalently-bondedUnitCount
1
HeavyAtomCount
22
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3.6
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CatalogNumber: AA25265
ChemicalName: 1-((4'-Chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazine
CasNumber: 1228780-72-0
MolecularFormula: C19H27ClN2
MolecularWeight: 318.8841
MdlNumber: MFCD28129720
Smiles: Clc1ccc(cc1)C1=C(CCC(C1)(C)C)CN1CCNCC1
Complexity: 402
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.6
CatalogNumber:
AA25265
ChemicalName:
1-((4'-Chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazine
CasNumber:
1228780-72-0
MolecularFormula:
C19H27ClN2
MolecularWeight:
318.8841
MdlNumber:
MFCD28129720
Smiles:
Clc1ccc(cc1)C1=C(CCC(C1)(C)C)CN1CCNCC1
Complexity:
402
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
Xlogp3: __
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__
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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:
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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RotatableBondCount:
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CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Ic1ccc2c(c1)C(=O)N(C2)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
Ic1ccc2c(c1)C(=O)N(C2)C
Complexity:
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Covalently-bondedUnitCount:
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HydrogenBondAcceptorCount:
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Xlogp3:
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CatalogNumber: AA25269
ChemicalName: tert-Butyl 3-(aminomethyl)-3-fluoropyrrolidine-1-carboxylate
CasNumber: 1228765-06-7
MolecularFormula: C10H19FN2O2
MolecularWeight: 218.2685
MdlNumber: MFCD18375054
Smiles: NCC1(F)CCN(C1)C(=O)OC(C)(C)C
Complexity: 252
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 0.5
CatalogNumber:
AA25269
ChemicalName:
tert-Butyl 3-(aminomethyl)-3-fluoropyrrolidine-1-carboxylate
CasNumber:
1228765-06-7
MolecularFormula:
C10H19FN2O2
MolecularWeight:
218.2685
MdlNumber:
MFCD18375054
Smiles:
NCC1(F)CCN(C1)C(=O)OC(C)(C)C
Complexity:
252
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
0.5