AE62771
1400645-23-9 | Methyl 3-(isopropylamino)-4-nitrobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AE62771
ChemicalName
Methyl 3-(isopropylamino)-4-nitrobenzoate
CasNumber
1400645-23-9
MolecularFormula
C11H14N2O4
MolecularWeight
238.2399
MdlNumber
MFCD22421500
Smiles
COC(=O)c1ccc(c(c1)NC(C)C)[N+](=O)[O-]
Complexity
288
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
2.9
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CatalogNumber: AE62771
ChemicalName: Methyl 3-(isopropylamino)-4-nitrobenzoate
CasNumber: 1400645-23-9
MolecularFormula: C11H14N2O4
MolecularWeight: 238.2399
MdlNumber: MFCD22421500
Smiles: COC(=O)c1ccc(c(c1)NC(C)C)[N+](=O)[O-]
Complexity: 288
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2.9
CatalogNumber:
AE62771
ChemicalName:
Methyl 3-(isopropylamino)-4-nitrobenzoate
CasNumber:
1400645-23-9
MolecularFormula:
C11H14N2O4
MolecularWeight:
238.2399
MdlNumber:
MFCD22421500
Smiles:
COC(=O)c1ccc(c(c1)NC(C)C)[N+](=O)[O-]
Complexity:
288
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)C1CN(C(=O)C1)c1ccc(cc1)OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)C1CN(C(=O)C1)c1ccc(cc1)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AE62773
ChemicalName: 4-Methyl-1-(methylamino)cyclohexane-1-carbonitrile HCl
CasNumber: 1420800-13-0
MolecularFormula: C9H17ClN2
MolecularWeight: 188.6977
MdlNumber: MFCD22689114
Smiles: CNC1(C#N)CCC(CC1)C.Cl
Complexity: 169
Covalently-bondedUnitCount: 2
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AE62773
ChemicalName:
4-Methyl-1-(methylamino)cyclohexane-1-carbonitrile HCl
CasNumber:
1420800-13-0
MolecularFormula:
C9H17ClN2
MolecularWeight:
188.6977
MdlNumber:
MFCD22689114
Smiles:
CNC1(C#N)CCC(CC1)C.Cl
Complexity:
169
Covalently-bondedUnitCount:
2
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)C1CC(=O)N(C1)c1ccc(cc1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)C1CC(=O)N(C1)c1ccc(cc1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__