AB51255
252990-05-9 | 1-tert-Butyl 2-methyl (2R)-piperazine-1,2-dicarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB51255
ChemicalName
1-tert-Butyl 2-methyl (2R)-piperazine-1,2-dicarboxylate
CasNumber
252990-05-9
MolecularFormula
C11H20N2O4
MolecularWeight
244.2875
MdlNumber
MFCD04115327
Smiles
COC(=O)[C@H]1CNCCN1C(=O)OC(C)(C)C
Complexity
298
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
0.4
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CatalogNumber: AB51255
ChemicalName: 1-tert-Butyl 2-methyl (2R)-piperazine-1,2-dicarboxylate
CasNumber: 252990-05-9
MolecularFormula: C11H20N2O4
MolecularWeight: 244.2875
MdlNumber: MFCD04115327
Smiles: COC(=O)[C@H]1CNCCN1C(=O)OC(C)(C)C
Complexity: 298
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 0.4
CatalogNumber:
AB51255
ChemicalName:
1-tert-Butyl 2-methyl (2R)-piperazine-1,2-dicarboxylate
CasNumber:
252990-05-9
MolecularFormula:
C11H20N2O4
MolecularWeight:
244.2875
MdlNumber:
MFCD04115327
Smiles:
COC(=O)[C@H]1CNCCN1C(=O)OC(C)(C)C
Complexity:
298
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
0.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: BrCCCCCC(=O)Cl
Complexity: 85.1
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
BrCCCCCC(=O)Cl
Complexity:
85.1
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.5
CatalogNumber: AB51257
ChemicalName: 2,2,4-Trimethyl-1,3-pentanediol 1-monoisobutyrate
CasNumber: 25265-77-4
MolecularFormula: C12H26O4
MolecularWeight: 234.3324
MdlNumber: MFCD00148967
Smiles: CC(C(=O)O)C.OCC(C(C(C)C)O)(C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AB51257
ChemicalName:
2,2,4-Trimethyl-1,3-pentanediol 1-monoisobutyrate
CasNumber:
25265-77-4
MolecularFormula:
C12H26O4
MolecularWeight:
234.3324
MdlNumber:
MFCD00148967
Smiles:
CC(C(=O)O)C.OCC(C(C(C)C)O)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)C1(C)CC(C1)(F)F
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)C1(C)CC(C1)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__