Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D
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IDENTITY
结构与身份
- 标准SMILES
- O=CCCNC(=O)OCC1c2ccccc2-c2ccccc21
- InChIKey
- QIKCWSXCDBLUCW-UHFFFAOYSA-N
- 分子式
- C18H17NO3
- 平均分子量
- 295.3 g/mol
- 单同位素质量
- 295.1208434
COMPUTED
结构计算性质
- XLogP
- 2.5
- 极性表面积
- 55.4 Ų
- 氢键供体
- 1
- 氢键受体
- 3
- 可旋转键
- 6
- 重原子
- 22
- 形式电荷
- 0
- 复杂度
- 376
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. 2A (100%)；STOT SE 3 (100%)
ALIASES
名称与别名
267410-86-6Carbamic acid, (3-oxopropyl)-, 9H-fluoren-9-ylmethyl esterDTXSID20461018RefChem:332062DTXCID80411837(9H-fluoren-9-yl)methyl (3-oxopropyl)carbamate9H-fluoren-9-ylmethyl N-(3-oxopropyl)carbamateFmoc-3-aminopropanalMFCD12031772N-(3-Oxopropyl)-carbamic Acid 9H-Fluoren-9-ylmethyl EsterCarbamic acid, N-(3-oxopropyl)-, 9H-fluoren-9-ylmethyl ester1-(Fmoc-amino)-3-oxopropane3-(N-fmoc)aminopropionaldehydeSCHEMBL1893763SCHEMBL7389339SCHEMBL31031847(9H-FLUOREN-9-YL)METHYL N-(3-OXOPROPYL)CARBAMATEQIKCWSXCDBLUCW-UHFFFAOYSA-NSKA41086MFCD28053619
REACTIONS
