AI31652
1350475-49-8 | 1-Benzyl-3-hydroxymethyl-pyrrolidine-3-carbonitrile
Manufacturer: A2B Chem
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CatalogNumber
AI31652
ChemicalName
1-Benzyl-3-hydroxymethyl-pyrrolidine-3-carbonitrile
CasNumber
1350475-49-8
MolecularFormula
C13H16N2O
MolecularWeight
216.2789
MdlNumber
MFCD21362364
Smiles
OCC1(C#N)CCN(C1)Cc1ccccc1
Complexity
277
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
0.8
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CatalogNumber: AI31652
ChemicalName: 1-Benzyl-3-hydroxymethyl-pyrrolidine-3-carbonitrile
CasNumber: 1350475-49-8
MolecularFormula: C13H16N2O
MolecularWeight: 216.2789
MdlNumber: MFCD21362364
Smiles: OCC1(C#N)CCN(C1)Cc1ccccc1
Complexity: 277
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.8
CatalogNumber:
AI31652
ChemicalName:
1-Benzyl-3-hydroxymethyl-pyrrolidine-3-carbonitrile
CasNumber:
1350475-49-8
MolecularFormula:
C13H16N2O
MolecularWeight:
216.2789
MdlNumber:
MFCD21362364
Smiles:
OCC1(C#N)CCN(C1)Cc1ccccc1
Complexity:
277
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.8
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(C1CNCC1)O.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CC(C1CNCC1)O.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OB(CC1CCOCC1)O
Complexity: 91
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OB(CC1CCOCC1)O
Complexity:
91
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OB(Cc1ccc(cc1)C(C)(C)C)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OB(Cc1ccc(cc1)C(C)(C)C)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__