AH58779
848819-85-2 | Ethyl 3-amino-4-(propylamino)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AH58779
ChemicalName
Ethyl 3-amino-4-(propylamino)benzoate
CasNumber
848819-85-2
MolecularFormula
C12H18N2O2
MolecularWeight
222.2835
MdlNumber
MFCD13562356
Smiles
CCCNc1ccc(cc1N)C(=O)OCC
Complexity
221
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
6
Xlogp3
2.3
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CatalogNumber: AH58779
ChemicalName: Ethyl 3-amino-4-(propylamino)benzoate
CasNumber: 848819-85-2
MolecularFormula: C12H18N2O2
MolecularWeight: 222.2835
MdlNumber: MFCD13562356
Smiles: CCCNc1ccc(cc1N)C(=O)OCC
Complexity: 221
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 6
Xlogp3: 2.3
CatalogNumber:
AH58779
ChemicalName:
Ethyl 3-amino-4-(propylamino)benzoate
CasNumber:
848819-85-2
MolecularFormula:
C12H18N2O2
MolecularWeight:
222.2835
MdlNumber:
MFCD13562356
Smiles:
CCCNc1ccc(cc1N)C(=O)OCC
Complexity:
221
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
6
Xlogp3:
2.3
CatalogNumber: AH58780
ChemicalName: N-(4-Bromo-2-nitrophenyl)-2-chloroacetamide
CasNumber: 854583-85-0
MolecularFormula: C8H6BrClN2O3
MolecularWeight: 293.5018
MdlNumber: MFCD07468929
Smiles: ClCC(=O)Nc1ccc(cc1[N+](=O)[O-])Br
Complexity: 259
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.5
CatalogNumber:
AH58780
ChemicalName:
N-(4-Bromo-2-nitrophenyl)-2-chloroacetamide
CasNumber:
854583-85-0
MolecularFormula:
C8H6BrClN2O3
MolecularWeight:
293.5018
MdlNumber:
MFCD07468929
Smiles:
ClCC(=O)Nc1ccc(cc1[N+](=O)[O-])Br
Complexity:
259
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCc1ccc(cc1)C(c1cccc(c1)F)N
Complexity: 211
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 4.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCc1ccc(cc1)C(c1cccc(c1)F)N
Complexity:
211
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
4.3
CatalogNumber: AH58782
ChemicalName: 1-(Cyclopropylmethoxy)-4-nitrobenzene
CasNumber: 85002-74-0
MolecularFormula: C10H11NO3
MolecularWeight: 193.1992
MdlNumber: MFCD09701724
Smiles: [O-][N+](=O)c1ccc(cc1)OCC1CC1
Complexity: 202
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 2.9
CatalogNumber:
AH58782
ChemicalName:
1-(Cyclopropylmethoxy)-4-nitrobenzene
CasNumber:
85002-74-0
MolecularFormula:
C10H11NO3
MolecularWeight:
193.1992
MdlNumber:
MFCD09701724
Smiles:
[O-][N+](=O)c1ccc(cc1)OCC1CC1
Complexity:
202
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
2.9