AI52202
54381-16-7 | N,N-Bis(2-hydroxyethyl)-p-phenylenediamine sulphate
Manufacturer: A2B Chem
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CatalogNumber
AI52202
ChemicalName
N,N-Bis(2-hydroxyethyl)-p-phenylenediamine sulphate
CasNumber
54381-16-7
MolecularFormula
C10H18N2O6S
MolecularWeight
294.3247
MdlNumber
MFCD00013177
Smiles
OS(=O)(=O)O.OCCN(c1ccc(cc1)N)CCO
Complexity
222
Covalently-bondedUnitCount
2
HeavyAtomCount
19
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
5
RotatableBondCount
5
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CatalogNumber: AI52202
ChemicalName: N,N-Bis(2-hydroxyethyl)-p-phenylenediamine sulphate
CasNumber: 54381-16-7
MolecularFormula: C10H18N2O6S
MolecularWeight: 294.3247
MdlNumber: MFCD00013177
Smiles: OS(=O)(=O)O.OCCN(c1ccc(cc1)N)CCO
Complexity: 222
Covalently-bondedUnitCount: 2
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 5
RotatableBondCount: 5
CatalogNumber:
AI52202
ChemicalName:
N,N-Bis(2-hydroxyethyl)-p-phenylenediamine sulphate
CasNumber:
54381-16-7
MolecularFormula:
C10H18N2O6S
MolecularWeight:
294.3247
MdlNumber:
MFCD00013177
Smiles:
OS(=O)(=O)O.OCCN(c1ccc(cc1)N)CCO
Complexity:
222
Covalently-bondedUnitCount:
2
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
5
RotatableBondCount:
5
CatalogNumber: AI52203
ChemicalName: Methyl 3,5-dichloropicolinate
CasNumber: 5439-08-7
MolecularFormula: C7H5Cl2NO2
MolecularWeight: 206.0261
MdlNumber: MFCD09839147
Smiles: COC(=O)c1ncc(cc1Cl)Cl
Complexity: 177
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 2
CatalogNumber:
AI52203
ChemicalName:
Methyl 3,5-dichloropicolinate
CasNumber:
5439-08-7
MolecularFormula:
C7H5Cl2NO2
MolecularWeight:
206.0261
MdlNumber:
MFCD09839147
Smiles:
COC(=O)c1ncc(cc1Cl)Cl
Complexity:
177
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
2
CatalogNumber: AI52204
ChemicalName: 2,4-Dihydroxy-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
CasNumber: 5439-88-3
MolecularFormula: C9H10N2O4
MolecularWeight: 210.1867
MdlNumber: MFCD23378423
Smiles: Oc1nc(O)c2c(n1)CCC(C2)C(=O)O
Complexity: 386
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 1
CatalogNumber:
AI52204
ChemicalName:
2,4-Dihydroxy-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
CasNumber:
5439-88-3
MolecularFormula:
C9H10N2O4
MolecularWeight:
210.1867
MdlNumber:
MFCD23378423
Smiles:
Oc1nc(O)c2c(n1)CCC(C2)C(=O)O
Complexity:
386
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1C[C@H]2[C@@H](C1)CCCC2=O)OC(C)(C)C
Complexity: 332
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1C[C@H]2[C@@H](C1)CCCC2=O)OC(C)(C)C
Complexity:
332
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__