AE62552
1233249-35-8 | 4-(N-BOC-Aminophenyl)acetonitrile
Manufacturer: A2B Chem
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CatalogNumber
AE62552
ChemicalName
4-(N-BOC-Aminophenyl)acetonitrile
CasNumber
1233249-35-8
MolecularFormula
C13H16N2O2
MolecularWeight
232.2783
MdlNumber
MFCD17465121
Smiles
N#CCc1ccc(cc1)NC(=O)OC(C)(C)C
Complexity
303
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
2.1
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CatalogNumber: AE62552
ChemicalName: 4-(N-BOC-Aminophenyl)acetonitrile
CasNumber: 1233249-35-8
MolecularFormula: C13H16N2O2
MolecularWeight: 232.2783
MdlNumber: MFCD17465121
Smiles: N#CCc1ccc(cc1)NC(=O)OC(C)(C)C
Complexity: 303
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2.1
CatalogNumber:
AE62552
ChemicalName:
4-(N-BOC-Aminophenyl)acetonitrile
CasNumber:
1233249-35-8
MolecularFormula:
C13H16N2O2
MolecularWeight:
232.2783
MdlNumber:
MFCD17465121
Smiles:
N#CCc1ccc(cc1)NC(=O)OC(C)(C)C
Complexity:
303
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2.1
CatalogNumber: AE62553
ChemicalName: N-BOC-4-(4-BOC-piperazinocarbonyl)piperidine
CasNumber: 1278859-58-7
MolecularFormula: C20H35N3O5
MolecularWeight: 397.509
MdlNumber: MFCD22549329
Smiles: O=C(N1CCN(CC1)C(=O)OC(C)(C)C)C1CCN(CC1)C(=O)OC(C)(C)C
Complexity: 578
Covalently-bondedUnitCount: 1
HeavyAtomCount: 28
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 5
Xlogp3: 1.7
CatalogNumber:
AE62553
ChemicalName:
N-BOC-4-(4-BOC-piperazinocarbonyl)piperidine
CasNumber:
1278859-58-7
MolecularFormula:
C20H35N3O5
MolecularWeight:
397.509
MdlNumber:
MFCD22549329
Smiles:
O=C(N1CCN(CC1)C(=O)OC(C)(C)C)C1CCN(CC1)C(=O)OC(C)(C)C
Complexity:
578
Covalently-bondedUnitCount:
1
HeavyAtomCount:
28
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
5
Xlogp3:
1.7
CatalogNumber: AE62555
ChemicalName: (S)-1-BOC-4-[2-(Cbz-Amino)isopentanoyl]piperazine
CasNumber: 1420804-55-2
MolecularFormula: C22H33N3O5
MolecularWeight: 419.5145
MdlNumber: MFCD22689108
Smiles: CC([C@@H](C(=O)N1CCN(CC1)C(=O)OC(C)(C)C)NC(=O)OCc1ccccc1)C
Complexity: 588
Covalently-bondedUnitCount: 1
HeavyAtomCount: 30
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 8
Xlogp3: 3
CatalogNumber:
AE62555
ChemicalName:
(S)-1-BOC-4-[2-(Cbz-Amino)isopentanoyl]piperazine
CasNumber:
1420804-55-2
MolecularFormula:
C22H33N3O5
MolecularWeight:
419.5145
MdlNumber:
MFCD22689108
Smiles:
CC([C@@H](C(=O)N1CCN(CC1)C(=O)OC(C)(C)C)NC(=O)OCc1ccccc1)C
Complexity:
588
Covalently-bondedUnitCount:
1
HeavyAtomCount:
30
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
8
Xlogp3:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1ccc2c(c1)cc(nc2)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1ccc2c(c1)cc(nc2)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__