AB50293
280-57-9 | 1,4-Diazabicyclo[2.2.2]octane
Manufacturer: A2B Chem
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CatalogNumber
AB50293
ChemicalName
1,4-Diazabicyclo[2.2.2]octane
CasNumber
280-57-9
MolecularFormula
C6H12N2
MolecularWeight
112.1729
MdlNumber
MFCD00006689
Smiles
C1CN2CCN1CC2
NscNumber
56362
Complexity
61.5
Covalently-bondedUnitCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
2
Xlogp3
-0.2
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CatalogNumber: AB50293
ChemicalName: 1,4-Diazabicyclo[2.2.2]octane
CasNumber: 280-57-9
MolecularFormula: C6H12N2
MolecularWeight: 112.1729
MdlNumber: MFCD00006689
Smiles: C1CN2CCN1CC2
NscNumber: 56362
Complexity: 61.5
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 2
Xlogp3: -0.2
CatalogNumber:
AB50293
ChemicalName:
1,4-Diazabicyclo[2.2.2]octane
CasNumber:
280-57-9
MolecularFormula:
C6H12N2
MolecularWeight:
112.1729
MdlNumber:
MFCD00006689
Smiles:
C1CN2CCN1CC2
NscNumber:
56362
Complexity:
61.5
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
2
Xlogp3:
-0.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OS(=O)(=O)O.CN[C@@H]1[C@@H](O)[C@H](OC[C@]1(C)O)O[C@H]1[C@H](N)C[C@@H]([C@H]([C@@H]1O)O[C@H]1O[C@@H](CC[C@H]1N)[C@H](N)C)N.CN[C@@H]([C@@H]1CC[C@H]([C@H](O1)O[C@@H]1[C@@H](N)C[C@H]([C@@H]([C@H]1O)O[C@H]1OC[C@]([C@@H]([C@H]1O)NC)(C)O)N)N)C.NC[C@@H]1CC[C@H]([C@H](O1)O[C@@H]1[C@@H](N)C[C@H]([C@@H]([C@H]1O)O[C@H]1OC[C@]([C@@H]([C@H]1O)NC)(C)O)N)N
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OS(=O)(=O)O.CN[C@@H]1[C@@H](O)[C@H](OC[C@]1(C)O)O[C@H]1[C@H](N)C[C@@H]([C@H]([C@@H]1O)O[C@H]1O[C@@H](CC[C@H]1N)[C@H](N)C)N.CN[C@@H]([C@@H]1CC[C@H]([C@H](O1)O[C@@H]1[C@@H](N)C[C@H]([C@@H]([C@H]1O)O[C@H]1OC[C@]([C@@H]([C@H]1O)NC)(C)O)N)N)C.NC[C@@H]1CC[C@H]([C@H](O1)O[C@@H]1[C@@H](N)C[C@H]([C@@H]([C@H]1O)O[C@H]1OC[C@]([C@@H]([C@H]1O)NC)(C)O)N)N
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ncc(nc1N)Cl
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ncc(nc1N)Cl
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
Xlogp3:
__
CatalogNumber: AB50296
ChemicalName: 4-Methoxycyclohexanone
CasNumber: 13482-23-0
MolecularFormula: C7H12O2
MolecularWeight: 128.169
MdlNumber: MFCD01110115
Smiles: COC1CCC(=O)CC1
NscNumber: __
Complexity: 99.5
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
Xlogp3: 0.3
CatalogNumber:
AB50296
ChemicalName:
4-Methoxycyclohexanone
CasNumber:
13482-23-0
MolecularFormula:
C7H12O2
MolecularWeight:
128.169
MdlNumber:
MFCD01110115
Smiles:
COC1CCC(=O)CC1
NscNumber:
__
Complexity:
99.5
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
Xlogp3:
0.3