AI11151
1177271-46-3 | N-(Pyrrolidin-2-ylmethyl)aniline dioxalate
Manufacturer: A2B Chem
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CatalogNumber
AI11151
ChemicalName
N-(Pyrrolidin-2-ylmethyl)aniline dioxalate
CasNumber
1177271-46-3
MolecularFormula
C15H20N2O8
MolecularWeight
356.3279
MdlNumber
MFCD09832429
Smiles
C1CNC(C1)CNc1ccccc1.OC(=O)C(=O)O.OC(=O)C(=O)O
Complexity
213
Covalently-bondedUnitCount
3
HeavyAtomCount
25
HydrogenBondAcceptorCount
10
HydrogenBondDonorCount
6
RotatableBondCount
5
UndefinedAtomStereocenterCount
1
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CatalogNumber: AI11151
ChemicalName: N-(Pyrrolidin-2-ylmethyl)aniline dioxalate
CasNumber: 1177271-46-3
MolecularFormula: C15H20N2O8
MolecularWeight: 356.3279
MdlNumber: MFCD09832429
Smiles: C1CNC(C1)CNc1ccccc1.OC(=O)C(=O)O.OC(=O)C(=O)O
Complexity: 213
Covalently-bondedUnitCount: 3
HeavyAtomCount: 25
HydrogenBondAcceptorCount: 10
HydrogenBondDonorCount: 6
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 1
CatalogNumber:
AI11151
ChemicalName:
N-(Pyrrolidin-2-ylmethyl)aniline dioxalate
CasNumber:
1177271-46-3
MolecularFormula:
C15H20N2O8
MolecularWeight:
356.3279
MdlNumber:
MFCD09832429
Smiles:
C1CNC(C1)CNc1ccccc1.OC(=O)C(=O)O.OC(=O)C(=O)O
Complexity:
213
Covalently-bondedUnitCount:
3
HeavyAtomCount:
25
HydrogenBondAcceptorCount:
10
HydrogenBondDonorCount:
6
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
1
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Smiles: OC(=O)C(=O)O.CN(CC1CCCCCN1)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
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Smiles:
OC(=O)C(=O)O.CN(CC1CCCCCN1)C
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Smiles: CN(c1cccc(c1)C1CCCCCN1)C.OC(=O)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
CN(c1cccc(c1)C1CCCCCN1)C.OC(=O)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)C(=O)O.CCOc1ccc(cc1)C1CCCN1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)C(=O)O.CCOc1ccc(cc1)C1CCCN1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__