AI11227
1177304-51-6 | 4-Bromo-N-(Pyrrolidin-2-ylmethyl)aniline dioxalate
Manufacturer: A2B Chem
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CatalogNumber
AI11227
ChemicalName
4-Bromo-N-(Pyrrolidin-2-ylmethyl)aniline dioxalate
CasNumber
1177304-51-6
MolecularFormula
C15H19BrN2O8
MolecularWeight
435.2240
MdlNumber
MFCD09832418
Smiles
C1CC(NC1)CNC2=CC=C(C=C2)Br.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O
Complexity
238
Covalently-bondedUnitCount
3
HeavyAtomCount
26
HydrogenBondAcceptorCount
10
HydrogenBondDonorCount
6
RotatableBondCount
5
UndefinedAtomStereocenterCount
1
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CatalogNumber: AI11227
ChemicalName: 4-Bromo-N-(Pyrrolidin-2-ylmethyl)aniline dioxalate
CasNumber: 1177304-51-6
MolecularFormula: C15H19BrN2O8
MolecularWeight: 435.2240
MdlNumber: MFCD09832418
Smiles: C1CC(NC1)CNC2=CC=C(C=C2)Br.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O
Complexity: 238
Covalently-bondedUnitCount: 3
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 10
HydrogenBondDonorCount: 6
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 1
CatalogNumber:
AI11227
ChemicalName:
4-Bromo-N-(Pyrrolidin-2-ylmethyl)aniline dioxalate
CasNumber:
1177304-51-6
MolecularFormula:
C15H19BrN2O8
MolecularWeight:
435.2240
MdlNumber:
MFCD09832418
Smiles:
C1CC(NC1)CNC2=CC=C(C=C2)Br.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O
Complexity:
238
Covalently-bondedUnitCount:
3
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
10
HydrogenBondDonorCount:
6
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
1
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Smiles: Cc1ccccc1c1nnc([nH]1)N.Cl
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Cc1ccccc1c1nnc([nH]1)N.Cl
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Smiles: CCc1c(C)nn(c1C)CC(=O)N
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CCc1c(C)nn(c1C)CC(=O)N
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Smiles: Nc1cc2c(n[nH]c2cc1)C(=O)O.Cl
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Smiles:
Nc1cc2c(n[nH]c2cc1)C(=O)O.Cl
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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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UndefinedAtomStereocenterCount:
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