AF36968
234751-01-0 | Methyl 4-(butylamino)-3-nitrobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AF36968
ChemicalName
Methyl 4-(butylamino)-3-nitrobenzoate
CasNumber
234751-01-0
MolecularFormula
C12H16N2O4
MolecularWeight
252.2664
MdlNumber
MFCD22574964
Smiles
CCCCNc1ccc(cc1[N+](=O)[O-])C(=O)OC
Complexity
290
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
6
Xlogp3
3.4
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CatalogNumber: AF36968
ChemicalName: Methyl 4-(butylamino)-3-nitrobenzoate
CasNumber: 234751-01-0
MolecularFormula: C12H16N2O4
MolecularWeight: 252.2664
MdlNumber: MFCD22574964
Smiles: CCCCNc1ccc(cc1[N+](=O)[O-])C(=O)OC
Complexity: 290
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 6
Xlogp3: 3.4
CatalogNumber:
AF36968
ChemicalName:
Methyl 4-(butylamino)-3-nitrobenzoate
CasNumber:
234751-01-0
MolecularFormula:
C12H16N2O4
MolecularWeight:
252.2664
MdlNumber:
MFCD22574964
Smiles:
CCCCNc1ccc(cc1[N+](=O)[O-])C(=O)OC
Complexity:
290
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
6
Xlogp3:
3.4
CatalogNumber: AF36969
ChemicalName: Methyl 4-(cyclopentylamino)-3-nitrobenzoate
CasNumber: 234750-98-2
MolecularFormula: C13H16N2O4
MolecularWeight: 264.2771
MdlNumber: MFCD14281680
Smiles: COC(=O)c1ccc(c(c1)[N+](=O)[O-])NC1CCCC1
Complexity: 336
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 3.4
CatalogNumber:
AF36969
ChemicalName:
Methyl 4-(cyclopentylamino)-3-nitrobenzoate
CasNumber:
234750-98-2
MolecularFormula:
C13H16N2O4
MolecularWeight:
264.2771
MdlNumber:
MFCD14281680
Smiles:
COC(=O)c1ccc(c(c1)[N+](=O)[O-])NC1CCCC1
Complexity:
336
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
3.4
CatalogNumber: AF36970
ChemicalName: Methyl 2-(1,3-dioxoisoindol-2-yl)prop-2-enoate
CasNumber: 26878-24-0
MolecularFormula: C12H9NO4
MolecularWeight: 231.2042
MdlNumber: MFCD25953908
Smiles: COC(=O)C(=C)N1C(=O)c2c(C1=O)cccc2
Complexity: 377
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 1.5
CatalogNumber:
AF36970
ChemicalName:
Methyl 2-(1,3-dioxoisoindol-2-yl)prop-2-enoate
CasNumber:
26878-24-0
MolecularFormula:
C12H9NO4
MolecularWeight:
231.2042
MdlNumber:
MFCD25953908
Smiles:
COC(=O)C(=C)N1C(=O)c2c(C1=O)cccc2
Complexity:
377
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
1.5
CatalogNumber: AF36971
ChemicalName: Methyl[2-(3-methylphenoxy)ethyl]amine
CasNumber: 200350-18-1
MolecularFormula: C10H15NO
MolecularWeight: 165.2322
MdlNumber: MFCD00085971
Smiles: CNCCOc1cccc(c1)C
Complexity: 116
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2.2
CatalogNumber:
AF36971
ChemicalName:
Methyl[2-(3-methylphenoxy)ethyl]amine
CasNumber:
200350-18-1
MolecularFormula:
C10H15NO
MolecularWeight:
165.2322
MdlNumber:
MFCD00085971
Smiles:
CNCCOc1cccc(c1)C
Complexity:
116
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2.2