AD10199
953727-42-9 | 3-(Pyrrolidinosulfonyl)benzylamine
Manufacturer: A2B Chem
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CatalogNumber
AD10199
ChemicalName
3-(Pyrrolidinosulfonyl)benzylamine
CasNumber
953727-42-9
MolecularFormula
C11H16N2O2S
MolecularWeight
240.3219
MdlNumber
MFCD09734314
Smiles
NCc1cccc(c1)S(=O)(=O)N1CCCC1
Complexity
317
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
0.4
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CatalogNumber: AD10199
ChemicalName: 3-(Pyrrolidinosulfonyl)benzylamine
CasNumber: 953727-42-9
MolecularFormula: C11H16N2O2S
MolecularWeight: 240.3219
MdlNumber: MFCD09734314
Smiles: NCc1cccc(c1)S(=O)(=O)N1CCCC1
Complexity: 317
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 0.4
CatalogNumber:
AD10199
ChemicalName:
3-(Pyrrolidinosulfonyl)benzylamine
CasNumber:
953727-42-9
MolecularFormula:
C11H16N2O2S
MolecularWeight:
240.3219
MdlNumber:
MFCD09734314
Smiles:
NCc1cccc(c1)S(=O)(=O)N1CCCC1
Complexity:
317
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
0.4
CatalogNumber: AD10203
ChemicalName: Methyl 2-[2-(chloromethyl)phenyl]acetate
CasNumber: 95360-33-1
MolecularFormula: C10H11ClO2
MolecularWeight: 198.64614000000006
MdlNumber: MFCD09832998
Smiles: COC(=O)Cc1ccccc1CCl
Complexity: 170
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 4
Xlogp3: 2.1
CatalogNumber:
AD10203
ChemicalName:
Methyl 2-[2-(chloromethyl)phenyl]acetate
CasNumber:
95360-33-1
MolecularFormula:
C10H11ClO2
MolecularWeight:
198.64614000000006
MdlNumber:
MFCD09832998
Smiles:
COC(=O)Cc1ccccc1CCl
Complexity:
170
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
4
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(c1ccccc1)NCCC(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(c1ccccc1)NCCC(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1cnc2c(c1)cc([nH]2)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1cnc2c(c1)cc([nH]2)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__