4876-45-3
樟吡他胺
Name
樟吡他胺
pro_formula
C11 H17 N2 O . C10 H15 O4 S
pro_molWeight
424.559
1Identification
【Name】
樟吡他胺
【CAS】
【MDL】
MFCD01749545
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C11 H17 N2 O . C10 H15 O4 S
【pro_molWeight】
424.559
【Inchi】
InChI=1S/C11H17N2O.C10H16O4S/c1-4-13(5-2)11(14)10-7-6-8-12(3)9-10;1-9(2)6-4-5-10(9,3)8(11)7(6)15(12,13)14/h6-9H,4-5H2,1-3H3;6-7H,4-5H2,1-3H3,(H,12,13,14)/q+1;/p-1/t;6-,7?,10+/m.1/s1
【InChIKey】
InChIKey=QPHACUMLBDXKIF-WSCAEELUSA-M
【SMILES】
CCN(CC)C(=O)c1ccc[n+](c1)C.CC1([C@@H]2CC[C@]1(C(=O)C2S(=O)(=O)[O-])C)C
【MOL File】
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:4
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
樟吡他胺.cml
quick_release
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Alfa Chemistry
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BOC Sciences
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