AE81532
1820650-49-4 | 1-(Pyridin-3-yl)cyclopropanamine bis(4-nitrobenzoate)
Manufacturer: A2B Chem
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CatalogNumber
AE81532
ChemicalName
1-(Pyridin-3-yl)cyclopropanamine bis(4-nitrobenzoate)
CasNumber
1820650-49-4
MolecularFormula
C22H20N4O8
MolecularWeight
468.4162
MdlNumber
MFCD19705375
Smiles
NC1(CC1)c1cccnc1.OC(=O)c1ccc(cc1)[N+](=O)[O-].OC(=O)c1ccc(cc1)[N+](=O)[O-]
Complexity
319
Covalently-bondedUnitCount
3
HeavyAtomCount
34
HydrogenBondAcceptorCount
10
HydrogenBondDonorCount
3
RotatableBondCount
3
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CatalogNumber: AE81532
ChemicalName: 1-(Pyridin-3-yl)cyclopropanamine bis(4-nitrobenzoate)
CasNumber: 1820650-49-4
MolecularFormula: C22H20N4O8
MolecularWeight: 468.4162
MdlNumber: MFCD19705375
Smiles: NC1(CC1)c1cccnc1.OC(=O)c1ccc(cc1)[N+](=O)[O-].OC(=O)c1ccc(cc1)[N+](=O)[O-]
Complexity: 319
Covalently-bondedUnitCount: 3
HeavyAtomCount: 34
HydrogenBondAcceptorCount: 10
HydrogenBondDonorCount: 3
RotatableBondCount: 3
CatalogNumber:
AE81532
ChemicalName:
1-(Pyridin-3-yl)cyclopropanamine bis(4-nitrobenzoate)
CasNumber:
1820650-49-4
MolecularFormula:
C22H20N4O8
MolecularWeight:
468.4162
MdlNumber:
MFCD19705375
Smiles:
NC1(CC1)c1cccnc1.OC(=O)c1ccc(cc1)[N+](=O)[O-].OC(=O)c1ccc(cc1)[N+](=O)[O-]
Complexity:
319
Covalently-bondedUnitCount:
3
HeavyAtomCount:
34
HydrogenBondAcceptorCount:
10
HydrogenBondDonorCount:
3
RotatableBondCount:
3
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Smiles: CSc1nccc(n1)c1cc[nH]c(=O)c1
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CSc1nccc(n1)c1cc[nH]c(=O)c1
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Smiles: CCOC(=O)/C(=C/[C@@H](N(C(=O)[C@H](C(C)(C)C)NC(=O)OC(C)(C)C)C)C(C)C)/C
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Smiles:
CCOC(=O)/C(=C/[C@@H](N(C(=O)[C@H](C(C)(C)C)NC(=O)OC(C)(C)C)C)C(C)C)/C
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Smiles: CSc1cc(CCC(=O)O)c(cc1)O
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CasNumber:
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Smiles:
CSc1cc(CCC(=O)O)c(cc1)O
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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