AA64683
146474-00-2 | 1-(2-Aminoethyl)-1h-pyrrole-2,5-dione 2,2,2-trifluoroacetate
Manufacturer: A2B Chem
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CatalogNumber
AA64683
ChemicalName
1-(2-Aminoethyl)-1h-pyrrole-2,5-dione 2,2,2-trifluoroacetate
CasNumber
146474-00-2
MolecularFormula
C8H9F3N2O4
MolecularWeight
254.16326959999992
MdlNumber
MFCD01073617
Smiles
OC(=O)C(F)(F)F.NCCN1C(=O)C=CC1=O
Complexity
263
Covalently-bondedUnitCount
2
HeavyAtomCount
17
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
2
RotatableBondCount
2
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CatalogNumber: AA64683
ChemicalName: 1-(2-Aminoethyl)-1h-pyrrole-2,5-dione 2,2,2-trifluoroacetate
CasNumber: 146474-00-2
MolecularFormula: C8H9F3N2O4
MolecularWeight: 254.16326959999992
MdlNumber: MFCD01073617
Smiles: OC(=O)C(F)(F)F.NCCN1C(=O)C=CC1=O
Complexity: 263
Covalently-bondedUnitCount: 2
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 2
RotatableBondCount: 2
CatalogNumber:
AA64683
ChemicalName:
1-(2-Aminoethyl)-1h-pyrrole-2,5-dione 2,2,2-trifluoroacetate
CasNumber:
146474-00-2
MolecularFormula:
C8H9F3N2O4
MolecularWeight:
254.16326959999992
MdlNumber:
MFCD01073617
Smiles:
OC(=O)C(F)(F)F.NCCN1C(=O)C=CC1=O
Complexity:
263
Covalently-bondedUnitCount:
2
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
2
RotatableBondCount:
2
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Smiles: NCC1(O)CCOc2c1cccc2
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NCC1(O)CCOc2c1cccc2
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Smiles: Oc1ncnc2c1[nH]cn2
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Oc1ncnc2c1[nH]cn2
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Smiles: C#CCC(c1ccc(cc1)C(=O)N[C@H](C(=O)O)CCC(=O)O)Cc1cnc2c(n1)c(N)nc(n2)N
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Smiles:
C#CCC(c1ccc(cc1)C(=O)N[C@H](C(=O)O)CCC(=O)O)Cc1cnc2c(n1)c(N)nc(n2)N
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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