AE62619
143193-44-6 | 4-(Butylamino)-3-nitrobenzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AE62619
ChemicalName
4-(Butylamino)-3-nitrobenzonitrile
CasNumber
143193-44-6
MolecularFormula
C11H13N3O2
MolecularWeight
219.2398
MdlNumber
MFCD03551827
Smiles
CCCCNc1ccc(cc1[N+](=O)[O-])C#N
Complexity
279
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
3.3
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CatalogNumber: AE62619
ChemicalName: 4-(Butylamino)-3-nitrobenzonitrile
CasNumber: 143193-44-6
MolecularFormula: C11H13N3O2
MolecularWeight: 219.2398
MdlNumber: MFCD03551827
Smiles: CCCCNc1ccc(cc1[N+](=O)[O-])C#N
Complexity: 279
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 3.3
CatalogNumber:
AE62619
ChemicalName:
4-(Butylamino)-3-nitrobenzonitrile
CasNumber:
143193-44-6
MolecularFormula:
C11H13N3O2
MolecularWeight:
219.2398
MdlNumber:
MFCD03551827
Smiles:
CCCCNc1ccc(cc1[N+](=O)[O-])C#N
Complexity:
279
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
3.3
CatalogNumber: AE62620
ChemicalName: N-t-Butyl 2-(BOC-amino)propanamide
CasNumber: 1400644-20-3
MolecularFormula: C12H24N2O3
MolecularWeight: 244.3306
MdlNumber: MFCD22421533
Smiles: O=C(OC(C)(C)C)NC(C(=O)NC(C)(C)C)C
Complexity: 287
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 5
Xlogp3: 1.6
CatalogNumber:
AE62620
ChemicalName:
N-t-Butyl 2-(BOC-amino)propanamide
CasNumber:
1400644-20-3
MolecularFormula:
C12H24N2O3
MolecularWeight:
244.3306
MdlNumber:
MFCD22421533
Smiles:
O=C(OC(C)(C)C)NC(C(=O)NC(C)(C)C)C
Complexity:
287
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
5
Xlogp3:
1.6
CatalogNumber: AE62621
ChemicalName: t-Butyl N-[2-(2-chloro-2-phenylacetamido)ethyl]carbamate
CasNumber: 1420800-29-8
MolecularFormula: C15H21ClN2O3
MolecularWeight: 312.7918
MdlNumber: MFCD22689077
Smiles: ClC(c1ccccc1)C(=O)NCCNC(=O)OC(C)(C)C
Complexity: 349
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 7
Xlogp3: 2.6
CatalogNumber:
AE62621
ChemicalName:
t-Butyl N-[2-(2-chloro-2-phenylacetamido)ethyl]carbamate
CasNumber:
1420800-29-8
MolecularFormula:
C15H21ClN2O3
MolecularWeight:
312.7918
MdlNumber:
MFCD22689077
Smiles:
ClC(c1ccccc1)C(=O)NCCNC(=O)OC(C)(C)C
Complexity:
349
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
7
Xlogp3:
2.6
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Smiles: CC(C(=O)NC(C)(C)C)NC(=O)OCc1ccccc1
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CC(C(=O)NC(C)(C)C)NC(=O)OCc1ccccc1
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