AB45739
2016-36-6 | 2-Hydroxy-N,N,N-trimethylethanaminium 2-hydroxybenzoate
Manufacturer: A2B Chem
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CatalogNumber
AB45739
ChemicalName
2-Hydroxy-N,N,N-trimethylethanaminium 2-hydroxybenzoate
CasNumber
2016-36-6
MolecularFormula
C12H19NO4
MolecularWeight
241.2836
MdlNumber
MFCD00242760
Smiles
[O-]C(=O)c1ccccc1O.OCC[N+](C)(C)C
Complexity
179
Covalently-bondedUnitCount
2
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
3
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CatalogNumber: AB45739
ChemicalName: 2-Hydroxy-N,N,N-trimethylethanaminium 2-hydroxybenzoate
CasNumber: 2016-36-6
MolecularFormula: C12H19NO4
MolecularWeight: 241.2836
MdlNumber: MFCD00242760
Smiles: [O-]C(=O)c1ccccc1O.OCC[N+](C)(C)C
Complexity: 179
Covalently-bondedUnitCount: 2
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 3
CatalogNumber:
AB45739
ChemicalName:
2-Hydroxy-N,N,N-trimethylethanaminium 2-hydroxybenzoate
CasNumber:
2016-36-6
MolecularFormula:
C12H19NO4
MolecularWeight:
241.2836
MdlNumber:
MFCD00242760
Smiles:
[O-]C(=O)c1ccccc1O.OCC[N+](C)(C)C
Complexity:
179
Covalently-bondedUnitCount:
2
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
3
CatalogNumber: AB45740
ChemicalName: Choline tosylate
CasNumber: 55357-38-5
MolecularFormula: C12H21NO4S
MolecularWeight: 275.3644
MdlNumber: MFCD00079051
Smiles: Cc1ccc(cc1)S(=O)(=O)[O-].OCC[N+](C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
AB45740
ChemicalName:
Choline tosylate
CasNumber:
55357-38-5
MolecularFormula:
C12H21NO4S
MolecularWeight:
275.3644
MdlNumber:
MFCD00079051
Smiles:
Cc1ccc(cc1)S(=O)(=O)[O-].OCC[N+](C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AB45741
ChemicalName: N-Cyclohexyl-N-methyl-4-((2-oxo-1,2-dihydroquinolin-6-yl)oxy)butanamide
CasNumber: 68550-75-4
MolecularFormula: C20H26N2O3
MolecularWeight: 342.432
MdlNumber: MFCD00673958
Smiles: O=C(N(C1CCCCC1)C)CCCOc1ccc2c(c1)ccc(=O)[nH]2
Complexity: 499
Covalently-bondedUnitCount: 1
HeavyAtomCount: 25
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 6
CatalogNumber:
AB45741
ChemicalName:
N-Cyclohexyl-N-methyl-4-((2-oxo-1,2-dihydroquinolin-6-yl)oxy)butanamide
CasNumber:
68550-75-4
MolecularFormula:
C20H26N2O3
MolecularWeight:
342.432
MdlNumber:
MFCD00673958
Smiles:
O=C(N(C1CCCCC1)C)CCCOc1ccc2c(c1)ccc(=O)[nH]2
Complexity:
499
Covalently-bondedUnitCount:
1
HeavyAtomCount:
25
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC(=O)C=Cc1ccccc1
Complexity: 157
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC(=O)C=Cc1ccccc1
Complexity:
157
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__