HCID3539

Gyki 52895

4-(8-methyl-8,9-dihydro-7H-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-5-yl)aniline

C17H17N3O2295.34 g/molCAS 114460-08-1

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IDENTITY

结构与身份

标准SMILES: CC1Cc2cc3c(cc2C(c2ccc(N)cc2)=NN1)OCO3
InChIKey: AQTITSBNGSVQNZ-UHFFFAOYSA-N
分子式: C17H17N3O2
平均分子量: 295.34 g/mol
单同位素质量: 295.13207679

COMPUTED

结构计算性质

已同步

XLogP: 3.3
极性表面积: 68.9 Å²
氢键供体: 2
氢键受体: 5
可旋转键: 1
重原子: 22
形式电荷: 0
复杂度: 434

GHS

GHS分类

GHS Classification

Warning

H315 (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 exposure; Respiratory 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.

HAZARDS

危害信息

Hazard Classes and Categories

Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

ALIASES

名称与别名

共 40 条

GYKI 52895869360-93-0RefChem:1086350DTXSID401053810113-927-1114460-08-14-(8-Methyl-8,9-dihydro-7H-[1,3]dioxolo[4',5':4,5]benzo[1,2-d][1,2]diazepin-5-yl)anilineGYKI-52895H7KSE29GCH1-(4-Aminophenyl)-4-methyl-7,8-methylenedioxy-3,4-dihydro-5H-2,3-benzodiazepine4-(8-methyl-8,9-dihydro-7h-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-5-yl)aniline4-(8,9-Dihydro-8-methyl-7H-1,3-dioxolo(4,5-h)(2,3)benzodiazepin-5-yl)benzenamineGYKI52895Benzenamine, 4-(8,9-dihydro-8-methyl-7H-1,3-dioxolo(4,5-h)(2,3)benzodiazepin-5-yl)-7H-1,3-Dioxolo[4,5-h][2,3]benzodiazepine, benzenamine deriv.4-(8,9-Dihydro-8-methyl-7H-1,3-dioxolo[4,5-h][2,3]benzodiazepin-5-yl)benzenamineBenzenamine, 4-(8,9-dihydro-8-methyl-7H-1,3-dioxolo[4,5-h][2,3]benzodiazepin-5-yl)-AQTITSBNGSVQNZ-UHFFFAOYSA-NUNII-H7KSE29GCHLopac0_000562

REACTIONS

相关反应

22 条

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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uspto-grants-1996_05 · 10.6084/m9.figshare.5104873.v1 · US05519019

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uspto-grants-1996_05 · 10.6084/m9.figshare.5104873.v1 · US05519019

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uspto-grants-1996_05 · 10.6084/m9.figshare.5104873.v1 · US05519019

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uspto-grants-1996_05 · 10.6084/m9.figshare.5104873.v1 · US05521174

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uspto-grants-1996_05 · 10.6084/m9.figshare.5104873.v1 · US05521174

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uspto-grants-1996_05 · 10.6084/m9.figshare.5104873.v1 · US05521174

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