AB57664
817170-70-0 | 1-(2-Fluoro-4-(trifluoromethyl)phenyl)piperazine
Manufacturer: A2B Chem
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CatalogNumber
AB57664
ChemicalName
1-(2-Fluoro-4-(trifluoromethyl)phenyl)piperazine
CasNumber
817170-70-0
MolecularFormula
C11H12F4N2
MolecularWeight
248.22
MdlNumber
MFCD11872764
Smiles
Fc1cc(ccc1N1CCNCC1)C(F)(F)F
Complexity
250
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.4
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CatalogNumber: AB57664
ChemicalName: 1-(2-Fluoro-4-(trifluoromethyl)phenyl)piperazine
CasNumber: 817170-70-0
MolecularFormula: C11H12F4N2
MolecularWeight: 248.22
MdlNumber: MFCD11872764
Smiles: Fc1cc(ccc1N1CCNCC1)C(F)(F)F
Complexity: 250
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.4
CatalogNumber:
AB57664
ChemicalName:
1-(2-Fluoro-4-(trifluoromethyl)phenyl)piperazine
CasNumber:
817170-70-0
MolecularFormula:
C11H12F4N2
MolecularWeight:
248.22
MdlNumber:
MFCD11872764
Smiles:
Fc1cc(ccc1N1CCNCC1)C(F)(F)F
Complexity:
250
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(OC)cc(c1C(=O)CCC[NH+]1CCCC1)OC.[Cl-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(OC)cc(c1C(=O)CCC[NH+]1CCCC1)OC.[Cl-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCc1cccc(c1)N1CCN(CC1)C
Complexity: 187
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCc1cccc(c1)N1CCN(CC1)C
Complexity:
187
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.7
CatalogNumber: AB57667
ChemicalName: 1-[3-(Dimethylamino)propyl]-3-ethylurea
CasNumber: 32897-26-0
MolecularFormula: C8H19N3O
MolecularWeight: 173.256
MdlNumber: MFCD00027752
Smiles: CCNC(=O)NCCCN(C)C
Complexity: 126
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 5
Xlogp3: 0.1
CatalogNumber:
AB57667
ChemicalName:
1-[3-(Dimethylamino)propyl]-3-ethylurea
CasNumber:
32897-26-0
MolecularFormula:
C8H19N3O
MolecularWeight:
173.256
MdlNumber:
MFCD00027752
Smiles:
CCNC(=O)NCCCN(C)C
Complexity:
126
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
5
Xlogp3:
0.1