AF69220
333987-04-5 | 4-(4-Cyanobenzyl)piperidine, HCl
Manufacturer: A2B Chem
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CatalogNumber
AF69220
ChemicalName
4-(4-Cyanobenzyl)piperidine, HCl
CasNumber
333987-04-5
MolecularFormula
C13H17ClN2
MolecularWeight
236.7405
MdlNumber
MFCD08461194
Smiles
N#Cc1ccc(cc1)CC1CCNCC1.Cl
Complexity
226
Covalently-bondedUnitCount
2
HeavyAtomCount
16
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
2
RotatableBondCount
2
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CatalogNumber: AF69220
ChemicalName: 4-(4-Cyanobenzyl)piperidine, HCl
CasNumber: 333987-04-5
MolecularFormula: C13H17ClN2
MolecularWeight: 236.7405
MdlNumber: MFCD08461194
Smiles: N#Cc1ccc(cc1)CC1CCNCC1.Cl
Complexity: 226
Covalently-bondedUnitCount: 2
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 2
CatalogNumber:
AF69220
ChemicalName:
4-(4-Cyanobenzyl)piperidine, HCl
CasNumber:
333987-04-5
MolecularFormula:
C13H17ClN2
MolecularWeight:
236.7405
MdlNumber:
MFCD08461194
Smiles:
N#Cc1ccc(cc1)CC1CCNCC1.Cl
Complexity:
226
Covalently-bondedUnitCount:
2
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
2
CatalogNumber: AF69221
ChemicalName: Asperosaponin VI
CasNumber: 39524-08-8
MolecularFormula: C47H76O18
MolecularWeight: 929.0955
MdlNumber: MFCD25371916
Smiles: OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)[C@]34CC[C@@]5(C(=CC[C@H]6[C@@]5(C)CC[C@@H]5[C@]6(C)CC[C@@H]([C@@]5(C)CO)O[C@@H]5OC[C@@H]([C@@H]([C@H]5O)O)O)[C@@H]4CC(CC3)(C)C)C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O
Complexity: 1770
Covalently-bondedUnitCount: 1
HeavyAtomCount: 65
HydrogenBondAcceptorCount: 18
HydrogenBondDonorCount: 11
RotatableBondCount: 10
CatalogNumber:
AF69221
ChemicalName:
Asperosaponin VI
CasNumber:
39524-08-8
MolecularFormula:
C47H76O18
MolecularWeight:
929.0955
MdlNumber:
MFCD25371916
Smiles:
OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)[C@]34CC[C@@]5(C(=CC[C@H]6[C@@]5(C)CC[C@@H]5[C@]6(C)CC[C@@H]([C@@]5(C)CO)O[C@@H]5OC[C@@H]([C@@H]([C@H]5O)O)O)[C@@H]4CC(CC3)(C)C)C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O
Complexity:
1770
Covalently-bondedUnitCount:
1
HeavyAtomCount:
65
HydrogenBondAcceptorCount:
18
HydrogenBondDonorCount:
11
RotatableBondCount:
10
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
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Smiles: COC[C@H]([C@@H](COC)O)O
Complexity: __
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MolecularFormula:
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Smiles:
COC[C@H]([C@@H](COC)O)O
Complexity:
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Smiles: CC(C(=O)Nc1c(Cl)cccc1Cl)Cl
Complexity: 202
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
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MdlNumber:
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Smiles:
CC(C(=O)Nc1c(Cl)cccc1Cl)Cl
Complexity:
202
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__