AB54569
53912-80-4 | (S)-1-N-Benzyl-prolinol
Manufacturer: A2B Chem
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CatalogNumber
AB54569
ChemicalName
(S)-1-N-Benzyl-prolinol
CasNumber
53912-80-4
MolecularFormula
C12H17NO
MolecularWeight
191.2695
MdlNumber
MFCD00011728
Smiles
OC[C@@H]1CCCN1Cc1ccccc1
Complexity
166
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.6
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CatalogNumber: AB54569
ChemicalName: (S)-1-N-Benzyl-prolinol
CasNumber: 53912-80-4
MolecularFormula: C12H17NO
MolecularWeight: 191.2695
MdlNumber: MFCD00011728
Smiles: OC[C@@H]1CCCN1Cc1ccccc1
Complexity: 166
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.6
CatalogNumber:
AB54569
ChemicalName:
(S)-1-N-Benzyl-prolinol
CasNumber:
53912-80-4
MolecularFormula:
C12H17NO
MolecularWeight:
191.2695
MdlNumber:
MFCD00011728
Smiles:
OC[C@@H]1CCCN1Cc1ccccc1
Complexity:
166
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.6
CatalogNumber: AB54570
ChemicalName: 1-BOC-4-cyanomethylpiperidine
CasNumber: 256411-39-9
MolecularFormula: C12H20N2O2
MolecularWeight: 224.2994
MdlNumber: MFCD09801019
Smiles: N#CCC1CCN(CC1)C(=O)OC(C)(C)C
Complexity: 290
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 1.5
CatalogNumber:
AB54570
ChemicalName:
1-BOC-4-cyanomethylpiperidine
CasNumber:
256411-39-9
MolecularFormula:
C12H20N2O2
MolecularWeight:
224.2994
MdlNumber:
MFCD09801019
Smiles:
N#CCC1CCN(CC1)C(=O)OC(C)(C)C
Complexity:
290
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
1.5
CatalogNumber: AB54571
ChemicalName: (1-Bromoethyl)benzene
CasNumber: 585-71-7
MolecularFormula: C8H9Br
MolecularWeight: 185.0611
MdlNumber: MFCD00000139
Smiles: CC(c1ccccc1)Br
Complexity: 74.6
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 9
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 2.9
CatalogNumber:
AB54571
ChemicalName:
(1-Bromoethyl)benzene
CasNumber:
585-71-7
MolecularFormula:
C8H9Br
MolecularWeight:
185.0611
MdlNumber:
MFCD00000139
Smiles:
CC(c1ccccc1)Br
Complexity:
74.6
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
2.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(C1CCCCC1)Br
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(C1CCCCC1)Br
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__