51990-04-6
ERADICANE
Name
ERADICANE
Formula
C9 H19 N O S . C8 H11 Cl2 N O
MolWeight
397.408
1Identification
【Name】
ERADICANE
【CAS】
51990-04-6
;759-94-4
【MDL】
MFCD01729358
【English Synonyms】
【Formula】
C9 H19 N O S . C8 H11 Cl2 N O
【MolWeight】
397.408
【Inchi】
InChI=1S/C9H19NOS.C8H11Cl2NO/c1-4-7-10(8-5-2)9(11)12-6-3;1-3-5-11(6-4-2)8(12)7(9)10/h4-8H2,1-3H3;3-4,7H,1-2,5-6H2
【InChIKey】
InChIKey=KHQBZNBEMOUCBD-UHFFFAOYSA-N
【SMILES】
CCCN(CCC)C(=O)SCC.C=CCN(CC=C)C(=O)C(Cl)Cl
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ERADICANE.cml
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Catalog No:ATM51990046 up to kgs
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