AA04877
101187-40-0 | 13-Amino-5,8,11-trioxa-2-azatridecanoic acid 1,1-dimethylethyl ester
Manufacturer: A2B Chem
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CatalogNumber
AA04877
ChemicalName
13-Amino-5,8,11-trioxa-2-azatridecanoic acid 1,1-dimethylethyl ester
CasNumber
101187-40-0
MolecularFormula
C13H28N2O5
MolecularWeight
292.3718
MdlNumber
MFCD16619220
Smiles
NCCOCCOCCOCCNC(=O)OC(C)(C)C
Complexity
243
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
2
RotatableBondCount
13
Xlogp3
-0.5
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CatalogNumber: AA04877
ChemicalName: 13-Amino-5,8,11-trioxa-2-azatridecanoic acid 1,1-dimethylethyl ester
CasNumber: 101187-40-0
MolecularFormula: C13H28N2O5
MolecularWeight: 292.3718
MdlNumber: MFCD16619220
Smiles: NCCOCCOCCOCCNC(=O)OC(C)(C)C
Complexity: 243
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 13
Xlogp3: -0.5
CatalogNumber:
AA04877
ChemicalName:
13-Amino-5,8,11-trioxa-2-azatridecanoic acid 1,1-dimethylethyl ester
CasNumber:
101187-40-0
MolecularFormula:
C13H28N2O5
MolecularWeight:
292.3718
MdlNumber:
MFCD16619220
Smiles:
NCCOCCOCCOCCNC(=O)OC(C)(C)C
Complexity:
243
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
13
Xlogp3:
-0.5
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Smiles: [N-]=[N+]=NCCOCCOCCOCCN=[N+]=[N-]
Complexity: __
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HeavyAtomCount: __
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Smiles:
[N-]=[N+]=NCCOCCOCCOCCN=[N+]=[N-]
Complexity:
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HeavyAtomCount:
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Smiles: CCCCCCCCCCC[C@@H](O)C
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Smiles:
CCCCCCCCCCC[C@@H](O)C
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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Xlogp3:
__
CatalogNumber: __
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MolecularFormula: __
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Smiles: CCCCCCCCCCCCCCCCCC(=O)[O-].[Ce+]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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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:
CCCCCCCCCCCCCCCCCC(=O)[O-].[Ce+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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