AB56135
314741-40-7 | (S)-1-Boc-3-hydroxymethyl-piperazine
Manufacturer: A2B Chem
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CatalogNumber
AB56135
ChemicalName
(S)-1-Boc-3-hydroxymethyl-piperazine
CasNumber
314741-40-7
MolecularFormula
C10H20N2O3
MolecularWeight
216.2774
MdlNumber
MFCD05863889
Smiles
OC[C@H]1NCCN(C1)C(=O)OC(C)(C)C
Complexity
225
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
-0.2
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CatalogNumber: AB56135
ChemicalName: (S)-1-Boc-3-hydroxymethyl-piperazine
CasNumber: 314741-40-7
MolecularFormula: C10H20N2O3
MolecularWeight: 216.2774
MdlNumber: MFCD05863889
Smiles: OC[C@H]1NCCN(C1)C(=O)OC(C)(C)C
Complexity: 225
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: -0.2
CatalogNumber:
AB56135
ChemicalName:
(S)-1-Boc-3-hydroxymethyl-piperazine
CasNumber:
314741-40-7
MolecularFormula:
C10H20N2O3
MolecularWeight:
216.2774
MdlNumber:
MFCD05863889
Smiles:
OC[C@H]1NCCN(C1)C(=O)OC(C)(C)C
Complexity:
225
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
-0.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC(=O)C[C@@H](C(=O)Oc1ccc(cc1)[N+](=O)[O-])NC(=O)OC(C)(C)C
Complexity: 516
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC(=O)C[C@@H](C(=O)Oc1ccc(cc1)[N+](=O)[O-])NC(=O)OC(C)(C)C
Complexity:
516
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC([C@H]1COC(=N1)c1ccccc1P(c1ccccc1)c1ccccc1)(C)C
Complexity: 509
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 5.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC([C@H]1COC(=N1)c1ccccc1P(c1ccccc1)c1ccccc1)(C)C
Complexity:
509
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
5.9
CatalogNumber: AB56138
ChemicalName: (S)-5-(Bromomethyl)-2-pyrrolidinone
CasNumber: 72479-05-1
MolecularFormula: C5H8BrNO
MolecularWeight: 178.02712000000005
MdlNumber: MFCD07369776
Smiles: BrC[C@@H]1CCC(=O)N1
Complexity: 105
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.4
CatalogNumber:
AB56138
ChemicalName:
(S)-5-(Bromomethyl)-2-pyrrolidinone
CasNumber:
72479-05-1
MolecularFormula:
C5H8BrNO
MolecularWeight:
178.02712000000005
MdlNumber:
MFCD07369776
Smiles:
BrC[C@@H]1CCC(=O)N1
Complexity:
105
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.4