AB51213
301673-16-5 | 4-N-Boc-2-hydroxymethylpiperazine
Manufacturer: A2B Chem
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CatalogNumber
AB51213
ChemicalName
4-N-Boc-2-hydroxymethylpiperazine
CasNumber
301673-16-5
MolecularFormula
C10H20N2O3
MolecularWeight
216.2774
MdlNumber
MFCD04115304
Smiles
OCC1NCCN(C1)C(=O)OC(C)(C)C
Complexity
225
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
-0.2
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CatalogNumber: AB51213
ChemicalName: 4-N-Boc-2-hydroxymethylpiperazine
CasNumber: 301673-16-5
MolecularFormula: C10H20N2O3
MolecularWeight: 216.2774
MdlNumber: MFCD04115304
Smiles: OCC1NCCN(C1)C(=O)OC(C)(C)C
Complexity: 225
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: -0.2
CatalogNumber:
AB51213
ChemicalName:
4-N-Boc-2-hydroxymethylpiperazine
CasNumber:
301673-16-5
MolecularFormula:
C10H20N2O3
MolecularWeight:
216.2774
MdlNumber:
MFCD04115304
Smiles:
OCC1NCCN(C1)C(=O)OC(C)(C)C
Complexity:
225
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
-0.2
CatalogNumber: AB51214
ChemicalName: 3-Fluoro-2-nitrotoluene
CasNumber: 3013-27-2
MolecularFormula: C7H6FNO2
MolecularWeight: 155.1264
MdlNumber: MFCD08458093
Smiles: [O-][N+](=O)c1c(C)cccc1F
Complexity: 157
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 2.2
CatalogNumber:
AB51214
ChemicalName:
3-Fluoro-2-nitrotoluene
CasNumber:
3013-27-2
MolecularFormula:
C7H6FNO2
MolecularWeight:
155.1264
MdlNumber:
MFCD08458093
Smiles:
[O-][N+](=O)c1c(C)cccc1F
Complexity:
157
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@H]1O[C@H]([C@]([C@@H]1O)(C)O)n1ccc(=O)[nH]c1=O
Complexity: 411
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: -2.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@H]1O[C@H]([C@]([C@@H]1O)(C)O)n1ccc(=O)[nH]c1=O
Complexity:
411
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
-2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCC=CC=CC(=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCC=CC=CC(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__