AI40183
1820603-79-9 | N-(2-Butylaminoethyl)-4-nitroaniline
Manufacturer: A2B Chem
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CatalogNumber
AI40183
ChemicalName
N-(2-Butylaminoethyl)-4-nitroaniline
CasNumber
1820603-79-9
MolecularFormula
C12H19N3O2
MolecularWeight
237.2982
MdlNumber
MFCD28252208
Smiles
CCCCNCCNc1ccc(cc1)[N+](=O)[O-]
Complexity
210
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
7
Xlogp3
2.6
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CatalogNumber: AI40183
ChemicalName: N-(2-Butylaminoethyl)-4-nitroaniline
CasNumber: 1820603-79-9
MolecularFormula: C12H19N3O2
MolecularWeight: 237.2982
MdlNumber: MFCD28252208
Smiles: CCCCNCCNc1ccc(cc1)[N+](=O)[O-]
Complexity: 210
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 7
Xlogp3: 2.6
CatalogNumber:
AI40183
ChemicalName:
N-(2-Butylaminoethyl)-4-nitroaniline
CasNumber:
1820603-79-9
MolecularFormula:
C12H19N3O2
MolecularWeight:
237.2982
MdlNumber:
MFCD28252208
Smiles:
CCCCNCCNc1ccc(cc1)[N+](=O)[O-]
Complexity:
210
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
7
Xlogp3:
2.6
CatalogNumber: AI40184
ChemicalName: 2-(Ethanesulfonyl)-N,N-dimethyl-5-nitroaniline
CasNumber: 1820603-85-7
MolecularFormula: C10H14N2O4S
MolecularWeight: 258.2942
MdlNumber: MFCD25953891
Smiles: CCS(=O)(=O)c1ccc(cc1N(C)C)[N+](=O)[O-]
Complexity: 369
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 1.5
CatalogNumber:
AI40184
ChemicalName:
2-(Ethanesulfonyl)-N,N-dimethyl-5-nitroaniline
CasNumber:
1820603-85-7
MolecularFormula:
C10H14N2O4S
MolecularWeight:
258.2942
MdlNumber:
MFCD25953891
Smiles:
CCS(=O)(=O)c1ccc(cc1N(C)C)[N+](=O)[O-]
Complexity:
369
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
1.5
CatalogNumber: AI40185
ChemicalName: 2,4-Bis(Benzyloxy)-1-methanesulfonylbenzene
CasNumber: 1820603-90-4
MolecularFormula: C21H20O4S
MolecularWeight: 368.4461
MdlNumber: MFCD26131156
Smiles: CS(=O)(=O)c1ccc(cc1OCc1ccccc1)OCc1ccccc1
Complexity: 501
Covalently-bondedUnitCount: 1
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 7
Xlogp3: 4.1
CatalogNumber:
AI40185
ChemicalName:
2,4-Bis(Benzyloxy)-1-methanesulfonylbenzene
CasNumber:
1820603-90-4
MolecularFormula:
C21H20O4S
MolecularWeight:
368.4461
MdlNumber:
MFCD26131156
Smiles:
CS(=O)(=O)c1ccc(cc1OCc1ccccc1)OCc1ccccc1
Complexity:
501
Covalently-bondedUnitCount:
1
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
7
Xlogp3:
4.1
CatalogNumber: AI40186
ChemicalName: 2-(4-BOC-Piperazino)methyl-4-bromothiophene
CasNumber: 1820603-98-2
MolecularFormula: C14H21BrN2O2S
MolecularWeight: 361.2977
MdlNumber: MFCD28369582
Smiles: O=C(N1CCN(CC1)Cc1scc(c1)Br)OC(C)(C)C
Complexity: 341
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 4
Xlogp3: 2.8
CatalogNumber:
AI40186
ChemicalName:
2-(4-BOC-Piperazino)methyl-4-bromothiophene
CasNumber:
1820603-98-2
MolecularFormula:
C14H21BrN2O2S
MolecularWeight:
361.2977
MdlNumber:
MFCD28369582
Smiles:
O=C(N1CCN(CC1)Cc1scc(c1)Br)OC(C)(C)C
Complexity:
341
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
4
Xlogp3:
2.8