HCID40429402

1-Cbz-3-azetidineacetic acid

2-(1-phenylmethoxycarbonylazetidin-3-yl)acetic acid

C13H15NO4249.26 g/molCAS 319470-14-9

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IDENTITY

结构与身份

标准 SMILES: O=C(O)CC1CN(C(=O)OCc2ccccc2)C1
InChIKey: LSAPQRPYEJIJAG-UHFFFAOYSA-N
分子式: C13H15NO4
平均分子量: 249.26 g/mol
单同位素质量: 249.10010796

COMPUTED

结构计算性质

已同步

XLogP: 1.1
极性表面积: 66.8 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 5
重原子: 18
形式电荷: 0
复杂度: 306

GHS

GHS 分类

来源：PubChem

GHS Classification

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

HAZARDS

危害信息

来源：PubChem

Hazard Classes and Categories

Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

ALIASES

名称与别名

共 27 条

1-CBZ-3-AZETIDINEACETIC ACIDRefChem:431143859-094-4319470-14-92-(1-((Benzyloxy)carbonyl)azetidin-3-yl)acetic acid2-(1-Benzyloxycarbonylazetidin-3-yl)acetic acidMFCD021790293-CARBOXYMETHYL-AZETIDINE-1-CARBOXYLIC ACID BENZYL ESTER2-{1-[(benzyloxy)carbonyl]azetidin-3-yl}acetic acid2-(1-phenylmethoxycarbonylazetidin-3-yl)acetic acid1-CBZ-3-CARBOXYMETHYL-AZETIDINE{1-[(benzyloxy)carbonyl]azetidin-3-yl}acetic acid2-(1-(benzyloxycarbonyl)azetidin-3-yl)acetic acidSCHEMBL895729DTXSID10654371LSAPQRPYEJIJAG-UHFFFAOYSA-N2-(1-Cbz-3-azetidinyl)acetic AcidAKOS013931000PB27560AS-33440

REACTIONS

参与反应

2 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

HRID1596184

uspto-grants-2001_09

作为生成物

uspto-grants-2001_09 · 10.6084/m9.figshare.5104873.v1 · US06291457B1

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HRID2140287

Training data from https://doi.org/10.1039/C8SC04228D (4/10)

作为生成物

Training data from https://doi.org/10.1039/C8SC04228D (4/10) · 10.1039/C8SC04228D

查看条件与参与物