AB77041
775-15-5 | 1-Benzyl-3-pyrrolidinol
Manufacturer: A2B Chem
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CatalogNumber
AB77041
ChemicalName
1-Benzyl-3-pyrrolidinol
CasNumber
775-15-5
MolecularFormula
C11H15NO
MolecularWeight
177.2429
MdlNumber
MFCD00012132
Smiles
OC1CCN(C1)Cc1ccccc1
Complexity
154
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
1.3
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CatalogNumber: AB77041
ChemicalName: 1-Benzyl-3-pyrrolidinol
CasNumber: 775-15-5
MolecularFormula: C11H15NO
MolecularWeight: 177.2429
MdlNumber: MFCD00012132
Smiles: OC1CCN(C1)Cc1ccccc1
Complexity: 154
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.3
CatalogNumber:
AB77041
ChemicalName:
1-Benzyl-3-pyrrolidinol
CasNumber:
775-15-5
MolecularFormula:
C11H15NO
MolecularWeight:
177.2429
MdlNumber:
MFCD00012132
Smiles:
OC1CCN(C1)Cc1ccccc1
Complexity:
154
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)NCc1ccccc1
Complexity: 450
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)NCc1ccccc1
Complexity:
450
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(c1nccc(c1)NCc1ccccc1)NCc1ccccc1
Complexity: 375
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 3.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(c1nccc(c1)NCc1ccccc1)NCc1ccccc1
Complexity:
375
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
3.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1ccc(cc1)S(=O)(=O)NCc1ccccc1
Complexity: 339
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 2.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1ccc(cc1)S(=O)(=O)NCc1ccccc1
Complexity:
339
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.5