AG32804
51832-31-6 | 1,2-Dimethyl 4-aminophthalate
Manufacturer: A2B Chem
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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
NscNumber
41699
Complexity
254
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
2
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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
NscNumber: 41699
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
NscNumber:
41699
Complexity:
254
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccc(n1C1CC1)C
NscNumber: __
Complexity: 119
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ccc(n1C1CC1)C
NscNumber:
__
Complexity:
119
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.9
CatalogNumber: AG32806
ChemicalName: 3-Bromo-6-nitrodurene
CasNumber: 52415-10-8
MolecularFormula: C10H12BrNO2
MolecularWeight: 258.1118
MdlNumber: MFCD01463901
Smiles: Cc1c(C)c([N+](=O)[O-])c(c(c1Br)C)C
NscNumber: 97131
Complexity: 213
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.9
CatalogNumber:
AG32806
ChemicalName:
3-Bromo-6-nitrodurene
CasNumber:
52415-10-8
MolecularFormula:
C10H12BrNO2
MolecularWeight:
258.1118
MdlNumber:
MFCD01463901
Smiles:
Cc1c(C)c([N+](=O)[O-])c(c(c1Br)C)C
NscNumber:
97131
Complexity:
213
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.9
CatalogNumber: AG32807
ChemicalName: 4-(N-BOC-Amino)-1-ethylpiperidine
CasNumber: 534595-56-7
MolecularFormula: C12H24N2O2
MolecularWeight: 228.3312
MdlNumber: MFCD16496451
Smiles: CCN1CCC(CC1)NC(=O)OC(C)(C)C
NscNumber: __
Complexity: 228
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 1.9
CatalogNumber:
AG32807
ChemicalName:
4-(N-BOC-Amino)-1-ethylpiperidine
CasNumber:
534595-56-7
MolecularFormula:
C12H24N2O2
MolecularWeight:
228.3312
MdlNumber:
MFCD16496451
Smiles:
CCN1CCC(CC1)NC(=O)OC(C)(C)C
NscNumber:
__
Complexity:
228
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
1.9