AI46358
27489-63-0 | Trans-4-(Cbz-amino)cyclohexanol
Manufacturer: A2B Chem
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CatalogNumber
AI46358
ChemicalName
Trans-4-(Cbz-amino)cyclohexanol
CasNumber
27489-63-0
MolecularFormula
C14H19NO3
MolecularWeight
249.3056
MdlNumber
MFCD00158431
Smiles
O[C@@H]1CC[C@H](CC1)NC(=O)OCc1ccccc1
Complexity
256
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
4
Xlogp3
2.1
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CatalogNumber: AI46358
ChemicalName: Trans-4-(Cbz-amino)cyclohexanol
CasNumber: 27489-63-0
MolecularFormula: C14H19NO3
MolecularWeight: 249.3056
MdlNumber: MFCD00158431
Smiles: O[C@@H]1CC[C@H](CC1)NC(=O)OCc1ccccc1
Complexity: 256
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: 2.1
CatalogNumber:
AI46358
ChemicalName:
Trans-4-(Cbz-amino)cyclohexanol
CasNumber:
27489-63-0
MolecularFormula:
C14H19NO3
MolecularWeight:
249.3056
MdlNumber:
MFCD00158431
Smiles:
O[C@@H]1CC[C@H](CC1)NC(=O)OCc1ccccc1
Complexity:
256
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
2.1
CatalogNumber: AI46359
ChemicalName: 2,5-Dimethyl-1,2-dihydro-pyrazol-3-one
CasNumber: 2749-59-9
MolecularFormula: C5H8N2O
MolecularWeight: 112.12982
MdlNumber: MFCD00067008
Smiles: CC1=NN(C(=O)C1)C
Complexity: 151
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -0.3
CatalogNumber:
AI46359
ChemicalName:
2,5-Dimethyl-1,2-dihydro-pyrazol-3-one
CasNumber:
2749-59-9
MolecularFormula:
C5H8N2O
MolecularWeight:
112.12982
MdlNumber:
MFCD00067008
Smiles:
CC1=NN(C(=O)C1)C
Complexity:
151
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.3
CatalogNumber: AI46360
ChemicalName: 4-Hydroxy-N-propylbenzamide
CasNumber: 27519-68-2
MolecularFormula: C10H13NO2
MolecularWeight: 179.2157
MdlNumber: MFCD06253037
Smiles: CCCNC(=O)c1ccc(cc1)O
Complexity: 162
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 1.6
CatalogNumber:
AI46360
ChemicalName:
4-Hydroxy-N-propylbenzamide
CasNumber:
27519-68-2
MolecularFormula:
C10H13NO2
MolecularWeight:
179.2157
MdlNumber:
MFCD06253037
Smiles:
CCCNC(=O)c1ccc(cc1)O
Complexity:
162
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCNC(=O)c1ccc(cc1)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCNC(=O)c1ccc(cc1)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__