AB49041
5878-61-5 | 7-(2-Chloroethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
Manufacturer: A2B Chem
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CatalogNumber
AB49041
ChemicalName
7-(2-Chloroethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CasNumber
5878-61-5
MolecularFormula
C9H11ClN4O2
MolecularWeight
242.6622
MdlNumber
MFCD00005760
Smiles
ClCCn1cnc2c1c(=O)n(C)c(=O)n2C
NscNumber
337614
Complexity
325
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
0.1
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CatalogNumber: AB49041
ChemicalName: 7-(2-Chloroethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CasNumber: 5878-61-5
MolecularFormula: C9H11ClN4O2
MolecularWeight: 242.6622
MdlNumber: MFCD00005760
Smiles: ClCCn1cnc2c1c(=O)n(C)c(=O)n2C
NscNumber: 337614
Complexity: 325
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 0.1
CatalogNumber:
AB49041
ChemicalName:
7-(2-Chloroethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CasNumber:
5878-61-5
MolecularFormula:
C9H11ClN4O2
MolecularWeight:
242.6622
MdlNumber:
MFCD00005760
Smiles:
ClCCn1cnc2c1c(=O)n(C)c(=O)n2C
NscNumber:
337614
Complexity:
325
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
0.1
CatalogNumber: AB49042
ChemicalName: 2-(N,N-Dimethylamino)benzaldehyde
CasNumber: 579-72-6
MolecularFormula: C9H11NO
MolecularWeight: 149.1897
MdlNumber: MFCD03407377
Smiles: O=Cc1ccccc1N(C)C
NscNumber: __
Complexity: 134
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 1.5
CatalogNumber:
AB49042
ChemicalName:
2-(N,N-Dimethylamino)benzaldehyde
CasNumber:
579-72-6
MolecularFormula:
C9H11NO
MolecularWeight:
149.1897
MdlNumber:
MFCD03407377
Smiles:
O=Cc1ccccc1N(C)C
NscNumber:
__
Complexity:
134
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
1.5
CatalogNumber: AB49043
ChemicalName: Boc-cis-4-cyano-l-proline methyl ester
CasNumber: 487048-28-2
MolecularFormula: C12H18N2O4
MolecularWeight: 254.2823
MdlNumber: MFCD03787928
Smiles: N#C[C@@H]1CN([C@@H](C1)C(=O)OC)C(=O)OC(C)(C)C
NscNumber: __
Complexity: 391
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
RotatableBondCount: 4
Xlogp3: 0.9
CatalogNumber:
AB49043
ChemicalName:
Boc-cis-4-cyano-l-proline methyl ester
CasNumber:
487048-28-2
MolecularFormula:
C12H18N2O4
MolecularWeight:
254.2823
MdlNumber:
MFCD03787928
Smiles:
N#C[C@@H]1CN([C@@H](C1)C(=O)OC)C(=O)OC(C)(C)C
NscNumber:
__
Complexity:
391
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
RotatableBondCount:
4
Xlogp3:
0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCCCCCCCCCCCCCCC(=O)N
NscNumber: __
Complexity: 228
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 7.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCCCCCCCCCCCCCCCC(=O)N
NscNumber:
__
Complexity:
228
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
7.9