AE28648
1189434-55-6 | Ethyl 6-(aminomethyl)nicotinate, HCl
Manufacturer: A2B Chem
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CatalogNumber
AE28648
ChemicalName
Ethyl 6-(aminomethyl)nicotinate, HCl
CasNumber
1189434-55-6
MolecularFormula
C9H13ClN2O2
MolecularWeight
216.6647
MdlNumber
MFCD09788628
Smiles
CCOC(=O)c1ccc(nc1)CN.Cl
Complexity
173
Covalently-bondedUnitCount
2
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
4
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CatalogNumber: AE28648
ChemicalName: Ethyl 6-(aminomethyl)nicotinate, HCl
CasNumber: 1189434-55-6
MolecularFormula: C9H13ClN2O2
MolecularWeight: 216.6647
MdlNumber: MFCD09788628
Smiles: CCOC(=O)c1ccc(nc1)CN.Cl
Complexity: 173
Covalently-bondedUnitCount: 2
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 4
CatalogNumber:
AE28648
ChemicalName:
Ethyl 6-(aminomethyl)nicotinate, HCl
CasNumber:
1189434-55-6
MolecularFormula:
C9H13ClN2O2
MolecularWeight:
216.6647
MdlNumber:
MFCD09788628
Smiles:
CCOC(=O)c1ccc(nc1)CN.Cl
Complexity:
173
Covalently-bondedUnitCount:
2
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
4
CatalogNumber: __
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Smiles: CC/C=C(C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)OCOC(=O)C(C)(C)C)COC(=O)N)/c1csc(n1)NC(=O)OC(C)(C)C
Complexity: __
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HeavyAtomCount: __
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Smiles:
CC/C=C(C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)OCOC(=O)C(C)(C)C)COC(=O)N)/c1csc(n1)NC(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
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MolecularFormula: __
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Smiles: OC(CCc1ccc(c(c1)O)O)CC/C=C/c1ccc(cc1)O
Complexity: __
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HeavyAtomCount: __
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
OC(CCc1ccc(c(c1)O)O)CC/C=C/c1ccc(cc1)O
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: CC(=O)c1ccc2c(c1)C(=O)C[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CC(=O)c1ccc2c(c1)C(=O)C[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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