Search Result : Detailed Informations

Low Mol Weight Allergen Name CAS# CID
1-(3-Chloroallyl)-3,5,7-triaza-1-azonia-adamantane chloride 4080-31-3 6433396
Structure Other Information
Canonical SMILES C1N2CN3CN1C[N+](C2)(C3)CC=CCl.[Cl-]
Iso SMILES C1N2CN3CN1C[N+](C2)(C3)C/C=C/Cl.[Cl-]
InChI InChI=1S/C9H16ClN4.ClH/c10-2-1-3-14-7-11-4-12(8-14)6-13(5-11)9-14;/h1-2H,3-9H2;1H/q+1;/p-1/b2-1+;
InChI Key UKHVLWKBNNSRRR-TYYBGVCCSA-M
Formula C9H16Cl2N4
Mol Weight 251.156
XlogP3 0
Charge 0

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