AG33039
475489-75-9 | Methyl 3-amino-4-(butylamino)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AG33039
ChemicalName
Methyl 3-amino-4-(butylamino)benzoate
CasNumber
475489-75-9
MolecularFormula
C12H18N2O2
MolecularWeight
222.2835
MdlNumber
MFCD14621909
Smiles
CCCCNc1ccc(cc1N)C(=O)OC
Complexity
221
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
6
Xlogp3
2.3
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CatalogNumber: AG33039
ChemicalName: Methyl 3-amino-4-(butylamino)benzoate
CasNumber: 475489-75-9
MolecularFormula: C12H18N2O2
MolecularWeight: 222.2835
MdlNumber: MFCD14621909
Smiles: CCCCNc1ccc(cc1N)C(=O)OC
Complexity: 221
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 6
Xlogp3: 2.3
CatalogNumber:
AG33039
ChemicalName:
Methyl 3-amino-4-(butylamino)benzoate
CasNumber:
475489-75-9
MolecularFormula:
C12H18N2O2
MolecularWeight:
222.2835
MdlNumber:
MFCD14621909
Smiles:
CCCCNc1ccc(cc1N)C(=O)OC
Complexity:
221
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
6
Xlogp3:
2.3
CatalogNumber: AG33040
ChemicalName: 1-(Methylamino)cyclopentane-1-carbonitrile
CasNumber: 55793-49-2
MolecularFormula: C7H12N2
MolecularWeight: 124.1836
MdlNumber: MFCD00040167
Smiles: CNC1(CCCC1)C#N
Complexity: 136
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.6
CatalogNumber:
AG33040
ChemicalName:
1-(Methylamino)cyclopentane-1-carbonitrile
CasNumber:
55793-49-2
MolecularFormula:
C7H12N2
MolecularWeight:
124.1836
MdlNumber:
MFCD00040167
Smiles:
CNC1(CCCC1)C#N
Complexity:
136
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.6
CatalogNumber: AG33041
ChemicalName: Methyl 3-amino-4-(cyclopentylamino)benzoate
CasNumber: 448190-81-6
MolecularFormula: C13H18N2O2
MolecularWeight: 234.2942
MdlNumber: MFCD13343641
Smiles: COC(=O)c1ccc(c(c1)N)NC1CCCC1
Complexity: 264
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: 2.3
CatalogNumber:
AG33041
ChemicalName:
Methyl 3-amino-4-(cyclopentylamino)benzoate
CasNumber:
448190-81-6
MolecularFormula:
C13H18N2O2
MolecularWeight:
234.2942
MdlNumber:
MFCD13343641
Smiles:
COC(=O)c1ccc(c(c1)N)NC1CCCC1
Complexity:
264
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
2.3
CatalogNumber: AG33042
ChemicalName: N-Methyl-4-nitro-2-(trifluoromethyl)aniline
CasNumber: 54672-10-5
MolecularFormula: C8H7F3N2O2
MolecularWeight: 220.1486
MdlNumber: MFCD00100091
Smiles: CNc1ccc(cc1C(F)(F)F)[N+](=O)[O-]
Complexity: 239
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.6
CatalogNumber:
AG33042
ChemicalName:
N-Methyl-4-nitro-2-(trifluoromethyl)aniline
CasNumber:
54672-10-5
MolecularFormula:
C8H7F3N2O2
MolecularWeight:
220.1486
MdlNumber:
MFCD00100091
Smiles:
CNc1ccc(cc1C(F)(F)F)[N+](=O)[O-]
Complexity:
239
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.6