HCID31090

Ethyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate

C11H13NO3207.23 g/molCAS 22244-22-0

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IDENTITY

结构与身份

标准 SMILES: CCOC(=O)C1CNc2ccccc2O1
InChIKey: FGYXHLIMQKWPIL-UHFFFAOYSA-N
分子式: C11H13NO3
平均分子量: 207.23 g/mol
单同位素质量: 207.08954328

COMPUTED

结构计算性质

已同步

XLogP: 2
极性表面积: 47.6 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 3
重原子: 15
形式电荷: 0
复杂度: 232

GHS

GHS 分类

来源：PubChem

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

来源：PubChem

Hazard Classes and Categories

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

ALIASES

名称与别名

共 31 条

22244-22-0ethyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylateDTXSID40944898RefChem:1084829DTXCID801373228ETHYL 3,4-DIHYDRO-2H-BENZO[B][1,4]OXAZINE-2-CARBOXYLATEMFCD01663859ethyl benzomorpholine-2-carboxylateCHEMBL4868317BRN 09908553,4-Dihydro-2H-1,4-benzoxazine-2-carboxylic acid ethyl ester2H-1,4-BENZOXAZINE-2-CARBOXYLIC ACID, 3,4-DIHYDRO-, ETHYL ESTERSCHEMBL924887FGYXHLIMQKWPIL-UHFFFAOYSA-NAR3125BDBM50576034SBB093861STK909181AKOS002199221AKOS016305636

REACTIONS

参与反应

20 条

全部作为反应物作为生成物作为试剂作为催化剂作为溶剂

HRID205223

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

作为反应物

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

查看条件与参与物

HRID253109

uspto-grants-2011_01

作为反应物