33629-47-9
BUTRALIN
Name
BUTRALIN
Formula
C14 H21 N3 O4
MolWeight
295.337
1Identification
【Name】
BUTRALIN
【CAS】
【MDL】
MFCD00128046
【English Synonyms】
【Formula】
C14 H21 N3 O4
【MolWeight】
295.337
【Inchi】
InChI=1S/C14H21N3O4/c1-6-9(2)15-13-11(16(18)19)7-10(14(3,4)5)8-12(13)17(20)21/h7-9,15H,6H2,1-5H3
【InChIKey】
InChIKey=SPNQRCTZKIBOAX-UHFFFAOYSA-N
【SMILES】
CCC(C)Nc1c(cc(cc1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-]
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BUTRALIN.cml
Quick Release
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