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299-89-8
ACETIAMINE
Name
ACETIAMINE
Formula
C16 H22 N4 O4 S
MolWeight
366.44
1Identification
【Name】
ACETIAMINE
【CAS】
【MDL】
MFCD00867786
【English Synonyms】
【Formula】
C16 H22 N4 O4 S
【MolWeight】
366.44
【Inchi】
InChI=1S/C16H22N4O4S/c1-10(15(25-13(4)23)5-6-24-12(3)22)20(9-21)8-14-7-18-11(2)19-16(14)17/h7,9H,5-6,8H2,1-4H3,(H2,17,18,19)/b15-10+
【InChIKey】
InChIKey=ISIPQAHMLLFSFR-XNTDXEJSSA-N
【SMILES】
Cc1ncc(c(n1)N)CN(C=O)/C(=C(\CCOC(=O)C)/SC(=O)C)/C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:8
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ACETIAMINE.cml
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