AD44981
35840-91-6 | 2-Benzylpyrrolidine
Manufacturer: A2B Chem
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CatalogNumber
AD44981
ChemicalName
2-Benzylpyrrolidine
CasNumber
35840-91-6
MolecularFormula
C11H15N
MolecularWeight
161.2435
MdlNumber
MFCD01631839
Smiles
C1CNC(C1)Cc1ccccc1
Complexity
127
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
1
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
2.3
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CatalogNumber: AD44981
ChemicalName: 2-Benzylpyrrolidine
CasNumber: 35840-91-6
MolecularFormula: C11H15N
MolecularWeight: 161.2435
MdlNumber: MFCD01631839
Smiles: C1CNC(C1)Cc1ccccc1
Complexity: 127
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.3
CatalogNumber:
AD44981
ChemicalName:
2-Benzylpyrrolidine
CasNumber:
35840-91-6
MolecularFormula:
C11H15N
MolecularWeight:
161.2435
MdlNumber:
MFCD01631839
Smiles:
C1CNC(C1)Cc1ccccc1
Complexity:
127
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.3
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Smiles: CCOC(=O)c1cnc2c(c1NN=C(C)C)cnn2CC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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Smiles:
CCOC(=O)c1cnc2c(c1NN=C(C)C)cnn2CC
Complexity:
__
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__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Xlogp3:
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Smiles: CCCCOC(C(F)F)(F)F
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Xlogp3: __
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__
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Smiles:
CCCCOC(C(F)F)(F)F
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: SCc1cc(F)cc(c1)F
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
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MdlNumber:
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Smiles:
SCc1cc(F)cc(c1)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
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