AG32801
51770-72-0 | 4-(Butane-1-sulfonyl)aniline
Manufacturer: A2B Chem
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CatalogNumber
AG32801
ChemicalName
4-(Butane-1-sulfonyl)aniline
CasNumber
51770-72-0
MolecularFormula
C10H15NO2S
MolecularWeight
213.2966
MdlNumber
MFCD11936799
Smiles
CCCCS(=O)(=O)c1ccc(cc1)N
Complexity
248
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
1.4
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CatalogNumber: AG32801
ChemicalName: 4-(Butane-1-sulfonyl)aniline
CasNumber: 51770-72-0
MolecularFormula: C10H15NO2S
MolecularWeight: 213.2966
MdlNumber: MFCD11936799
Smiles: CCCCS(=O)(=O)c1ccc(cc1)N
Complexity: 248
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 1.4
CatalogNumber:
AG32801
ChemicalName:
4-(Butane-1-sulfonyl)aniline
CasNumber:
51770-72-0
MolecularFormula:
C10H15NO2S
MolecularWeight:
213.2966
MdlNumber:
MFCD11936799
Smiles:
CCCCS(=O)(=O)c1ccc(cc1)N
Complexity:
248
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
1.4
CatalogNumber: AG32802
ChemicalName: 4-(4-Cyanophenyl)-2-methylphenol
CasNumber: 460748-08-7
MolecularFormula: C14H11NO
MolecularWeight: 209.2432
MdlNumber: MFCD17677586
Smiles: N#Cc1ccc(cc1)c1ccc(c(c1)C)O
Complexity: 272
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 3.3
CatalogNumber:
AG32802
ChemicalName:
4-(4-Cyanophenyl)-2-methylphenol
CasNumber:
460748-08-7
MolecularFormula:
C14H11NO
MolecularWeight:
209.2432
MdlNumber:
MFCD17677586
Smiles:
N#Cc1ccc(cc1)c1ccc(c(c1)C)O
Complexity:
272
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
3.3
CatalogNumber: AG32803
ChemicalName: 4-(BOC-Amino)-1-isopropylpiperidine
CasNumber: 534595-37-4
MolecularFormula: C13H26N2O2
MolecularWeight: 242.3577
MdlNumber: MFCD09028114
Smiles: O=C(OC(C)(C)C)NC1CCN(CC1)C(C)C
Complexity: 251
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2.3
CatalogNumber:
AG32803
ChemicalName:
4-(BOC-Amino)-1-isopropylpiperidine
CasNumber:
534595-37-4
MolecularFormula:
C13H26N2O2
MolecularWeight:
242.3577
MdlNumber:
MFCD09028114
Smiles:
O=C(OC(C)(C)C)NC1CCN(CC1)C(C)C
Complexity:
251
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2.3
CatalogNumber: AG32804
ChemicalName: 1,2-Dimethyl 4-aminophthalate
CasNumber: 51832-31-6
MolecularFormula: C10H11NO4
MolecularWeight: 209.1986
MdlNumber: MFCD00017197
Smiles: COC(=O)c1cc(N)ccc1C(=O)OC
Complexity: 254
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2
CatalogNumber:
AG32804
ChemicalName:
1,2-Dimethyl 4-aminophthalate
CasNumber:
51832-31-6
MolecularFormula:
C10H11NO4
MolecularWeight:
209.1986
MdlNumber:
MFCD00017197
Smiles:
COC(=O)c1cc(N)ccc1C(=O)OC
Complexity:
254
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2