AC91492
72216-05-8 | 2-(3-Methylphenyl)pyrrolidine
Manufacturer: A2B Chem
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CatalogNumber
AC91492
ChemicalName
2-(3-Methylphenyl)pyrrolidine
CasNumber
72216-05-8
MolecularFormula
C11H15N
MolecularWeight
161.2435
MdlNumber
MFCD02663444
Smiles
Cc1cccc(c1)C1CCCN1
Complexity
144
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
1
RotatableBondCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
2.2
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CatalogNumber: AC91492
ChemicalName: 2-(3-Methylphenyl)pyrrolidine
CasNumber: 72216-05-8
MolecularFormula: C11H15N
MolecularWeight: 161.2435
MdlNumber: MFCD02663444
Smiles: Cc1cccc(c1)C1CCCN1
Complexity: 144
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.2
CatalogNumber:
AC91492
ChemicalName:
2-(3-Methylphenyl)pyrrolidine
CasNumber:
72216-05-8
MolecularFormula:
C11H15N
MolecularWeight:
161.2435
MdlNumber:
MFCD02663444
Smiles:
Cc1cccc(c1)C1CCCN1
Complexity:
144
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.2
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Smiles: OCC[N+](Cc1ccccc1)(C)C.[Cl-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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Smiles:
OCC[N+](Cc1ccccc1)(C)C.[Cl-]
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Xlogp3:
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Smiles: Clc1nc(Nc2ccc(cc2)NC2=CC(S(=O)(=O)[O-])C(C3=C2C(=O)c2ccccc2C3=O)(N)S(=O)(=O)[O-])nc(n1)Cl.[Na+].[Na+]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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ChemicalName:
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MolecularFormula:
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Smiles:
Clc1nc(Nc2ccc(cc2)NC2=CC(S(=O)(=O)[O-])C(C3=C2C(=O)c2ccccc2C3=O)(N)S(=O)(=O)[O-])nc(n1)Cl.[Na+].[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1ccc2c(c1C)sc(n2)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)c1ccc2c(c1C)sc(n2)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__