N-[(3S,4R,7R,8R,9S)-4,9-Dimethyl-2,6-dioxo-7-butyl-8-hydroxy-1,5-dioxonane-3-yl]-3-(formylamino)-2-hydroxybenzamide

Modify Date: 2025-10-07 23:10:47

N-[(3S,4R,7R,8R,9S)-4,9-Dimethyl-2,6-dioxo-7-butyl-8-hydroxy-1,5-dioxonane-3-yl]-3-(formylamino)-2-hydroxybenzamide Structure
N-[(3S,4R,7R,8R,9S)-4,9-Dimethyl-2,6-dioxo-7-butyl-8-hydroxy-1,5-dioxonane-3-yl]-3-(formylamino)-2-hydroxybenzamide structure
Common Name N-[(3S,4R,7R,8R,9S)-4,9-Dimethyl-2,6-dioxo-7-butyl-8-hydroxy-1,5-dioxonane-3-yl]-3-(formylamino)-2-hydroxybenzamide
CAS Number 60504-95-2 Molecular Weight 436.45600
Density 1.32g/cm3 Boiling Point 747.2ºC at 760 mmHg
Molecular Formula C21H28N2O8 Melting Point N/A
MSDS USA Flash Point 405.7ºC

 Names

Name N-[(2R,3S,6S,7R,8R)-8-butyl-7-hydroxy-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-3-yl]-3-formamido-2-hydroxybenzamide
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.32g/cm3
Boiling Point 747.2ºC at 760 mmHg
Molecular Formula C21H28N2O8
Molecular Weight 436.45600
Flash Point 405.7ºC
Exact Mass 436.18500
PSA 158.24000
LogP 2.32750
Index of Refraction 1.575
InChIKey RQVHZRRXZBBXMY-ZMNIPVBYSA-N
SMILES CCCCC1C(=O)OC(C)C(NC(=O)c2cccc(NC=O)c2O)C(=O)OC(C)C1O

 Synonyms

2-Amino-4-chloro-6-ethylamino-s-triazine
6-Deisopropylatrazine
Atrazine-desisopropyl solution
deethyl simazine
Atrazine-desisopropyl
desethyl simazine
deisovalerylblastmycin
6-chloro-N2-ethyl-1,3,5-triazine-2,4-diamine
deisovalerylblastomycin
Deisopropylatrazine
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