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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 3539Generated: October 26, 2026

Gyki 52895

GYKI 52895 · 4-(8-methyl-8,9-dihydro-7H-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-5-yl)aniline · 1-(4-Aminophenyl)-4-methyl-7,8-methylenedioxy-3.4-dihydro-5H-2,3-benzodiazepine · Benzenamine, 4-(8,9-dihydro-8-methyl-7H-1,3-dioxolo[4,5-h][2,3]benzodiazepin-5-yl)-

https://huagongshe.com/en/chemical/3539

Gyki 52895 molecular structure

Identifiers & Physical Properties

CAS No.114460-08-1
Molecular formulaC17H17N3O2
Average molar mass295.34 g/mol
Monoisotopic mass295.13207679 g/mol
SMILESCC1Cc2cc3c(cc2C(c2ccc(N)cc2)=NN1)OCO3
InChIKeyAQTITSBNGSVQNZ-UHFFFAOYSA-N
PubChem CID3539
ChEMBLCHEMBL1256984
ChEBICHEBI:79613
EC No.113-927-1
DTXSIDDTXSID80921385

Chemical & Physical Properties

XLogP3.3
Topological polar surface area68.9
Hydrogen bond donors2
Hydrogen bond acceptors5
Rotatable bonds1
Heavy atoms22
Formal charge0
Complexity434
Solubilityethanol: soluble
Physical statesolid
Colorwhite
Hazard symbolsXi
Risk statements (R)36/37/38
Safety statements (S)22-26-36
Water hazard class (WGK)3

Safety & Regulations

GHS classificationWarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (100%)
Water hazard class (WGK)3
Risk statements (R)36/37/38
Hazard symbolsXi
Safety statements (S)22-26-36