AI49693
39546-32-2 | Isonipecotamide
Manufacturer: A2B Chem
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CatalogNumber
AI49693
ChemicalName
Isonipecotamide
CasNumber
39546-32-2
MolecularFormula
C6H12N2O
MolecularWeight
128.1723
MdlNumber
MFCD00038012
Smiles
NC(=O)C1CCNCC1
NscNumber
82318
Complexity
108
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
-1.4
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CatalogNumber: AI49693
ChemicalName: Isonipecotamide
CasNumber: 39546-32-2
MolecularFormula: C6H12N2O
MolecularWeight: 128.1723
MdlNumber: MFCD00038012
Smiles: NC(=O)C1CCNCC1
NscNumber: 82318
Complexity: 108
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: -1.4
CatalogNumber:
AI49693
ChemicalName:
Isonipecotamide
CasNumber:
39546-32-2
MolecularFormula:
C6H12N2O
MolecularWeight:
128.1723
MdlNumber:
MFCD00038012
Smiles:
NC(=O)C1CCNCC1
NscNumber:
82318
Complexity:
108
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
-1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C=Cc1ccc2c(c1)OCCOCCOCCOCCOCCO2
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C=Cc1ccc2c(c1)OCCOCCOCCOCCOCCO2
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI49695
ChemicalName: 2-Methoxyethyl 2-(3-nitrobenzylidene)acetoacetate
CasNumber: 39562-22-6
MolecularFormula: C14H15NO6
MolecularWeight: 293.272
MdlNumber: MFCD00521048
Smiles: COCCOC(=O)/C(=C/c1cccc(c1)[N+](=O)[O-])/C(=O)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AI49695
ChemicalName:
2-Methoxyethyl 2-(3-nitrobenzylidene)acetoacetate
CasNumber:
39562-22-6
MolecularFormula:
C14H15NO6
MolecularWeight:
293.272
MdlNumber:
MFCD00521048
Smiles:
COCCOC(=O)/C(=C/c1cccc(c1)[N+](=O)[O-])/C(=O)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ClCCCN1CCN(CC1)c1cccc(c1)Cl
NscNumber: __
Complexity: 218
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ClCCCN1CCN(CC1)c1cccc(c1)Cl
NscNumber:
__
Complexity:
218
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.4