AB54036
5469-66-9 | 1,3-Propanediol di-p-toluenesulfonate
Manufacturer: A2B Chem
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CatalogNumber
AB54036
ChemicalName
1,3-Propanediol di-p-toluenesulfonate
CasNumber
5469-66-9
MolecularFormula
C17H20O6S2
MolecularWeight
384.4671
MdlNumber
MFCD00013392
Smiles
Cc1ccc(cc1)S(=O)(=O)OCCCOS(=O)(=O)c1ccc(cc1)C
NscNumber
25205
Complexity
532
Covalently-bondedUnitCount
1
HeavyAtomCount
25
HydrogenBondAcceptorCount
6
RotatableBondCount
8
Xlogp3
3.3
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CatalogNumber: AB54036
ChemicalName: 1,3-Propanediol di-p-toluenesulfonate
CasNumber: 5469-66-9
MolecularFormula: C17H20O6S2
MolecularWeight: 384.4671
MdlNumber: MFCD00013392
Smiles: Cc1ccc(cc1)S(=O)(=O)OCCCOS(=O)(=O)c1ccc(cc1)C
NscNumber: 25205
Complexity: 532
Covalently-bondedUnitCount: 1
HeavyAtomCount: 25
HydrogenBondAcceptorCount: 6
RotatableBondCount: 8
Xlogp3: 3.3
CatalogNumber:
AB54036
ChemicalName:
1,3-Propanediol di-p-toluenesulfonate
CasNumber:
5469-66-9
MolecularFormula:
C17H20O6S2
MolecularWeight:
384.4671
MdlNumber:
MFCD00013392
Smiles:
Cc1ccc(cc1)S(=O)(=O)OCCCOS(=O)(=O)c1ccc(cc1)C
NscNumber:
25205
Complexity:
532
Covalently-bondedUnitCount:
1
HeavyAtomCount:
25
HydrogenBondAcceptorCount:
6
RotatableBondCount:
8
Xlogp3:
3.3
CatalogNumber: AB54037
ChemicalName: 1,4,7-Triazonane trihydrochloride
CasNumber: 58966-93-1
MolecularFormula: C6H18Cl3N3
MolecularWeight: 238.5862
MdlNumber: MFCD00074887
Smiles: N1CCNCCNCC1.Cl.Cl.Cl
NscNumber: __
Complexity: 45.1
Covalently-bondedUnitCount: 4
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AB54037
ChemicalName:
1,4,7-Triazonane trihydrochloride
CasNumber:
58966-93-1
MolecularFormula:
C6H18Cl3N3
MolecularWeight:
238.5862
MdlNumber:
MFCD00074887
Smiles:
N1CCNCCNCC1.Cl.Cl.Cl
NscNumber:
__
Complexity:
45.1
Covalently-bondedUnitCount:
4
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1ccc2c(c1)OCCO2
NscNumber: __
Complexity: 140
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 0.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1ccc2c(c1)OCCO2
NscNumber:
__
Complexity:
140
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
0.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1ccc(cc1)Oc1ccc(cc1)Oc1ccc(cc1)N
NscNumber: __
Complexity: 283
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 2.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1ccc(cc1)Oc1ccc(cc1)Oc1ccc(cc1)N
NscNumber:
__
Complexity:
283
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
2.9