2-{2-[(tert-butoxy)carbonyl]-2,3-dihydro-1H-isoindol-1-yl}acetic acid

HCID 58777860
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基本情報

CAS
444583-13-5
標準SMILES
CC(C)(C)OC(=O)N1Cc2ccccc2C1CC(=O)O
InChIKey
XSSWFYSBSGAYOD-UHFFFAOYSA-N
分子式
C15H19NO4
平均分子量
277.31 g/mol
単同位体質量
277.13140809

名称と識別子

優先名称
2-{2-[(tert-butoxy)carbonyl]-2,3-dihydro-1H-isoindol-1-yl}acetic acid
IUPAC
2-[2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydroisoindol-1-yl]acetic acid
英語名
2-(2-(tert-Butoxycarbonyl)isoindolin-1-yl)acetic acid
分子式
C15H19NO4
分子量
277.32

名称と別名

2-{2-[(tert-butoxy)carbonyl]-2,3-dihydro-1H-isoindol-1-yl}acetic acid2-(2-((tert-butoxy)carbonyl)-2,3-dihydro-1H-isoindol-1-yl)acetic acidRefChem:452357989-003-4444583-13-52-(2-(tert-Butoxycarbonyl)isoindolin-1-yl)acetic acid2-[2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydroisoindol-1-yl]acetic acidSCHEMBL48588602-Boc-isoindoline-1-acetic AcidDTXSID70730009XSSWFYSBSGAYOD-UHFFFAOYSA-NUSA58313
名称をさらに表示
1H-Isoindole-1-acetic acid, 2-[(1,1-dimethylethoxy)carbonyl]-2,3-dihydro-
MFCD13195382AKOS022175989SB65461SY216548EN300-3033862-(2-(tert-Butoxycarbonyl)isoindolin-1-yl)aceticacidZ1505705729[2-(tert-Butoxycarbonyl)-2,3-dihydro-1H-isoindol-1-yl]acetic acid

データベース識別子

CAS
444583-13-5
PubChem CID
58777860
DTXSID
DTXSID70730009
EC Number
989-003-4

物性

構造計算による物性

XLogP
1.7
極性表面積
66.8 Ų
水素結合供与体数
1
水素結合受容体数
4
回転可能結合数
4
重原子数
20

物理化学的性質

貯蔵温度
2 · 2-8°C

安全と法規制

GHS分類

GHS Classification · 5 件

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 1 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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

安全データ

危険有害性情報
コード 危険有害性情報 危険有害性クラス 区分 注意喚起語 シンボル P コード H302

化学と産業

サプライヤー5 社

苏州合森医药科技有限公司17621975170; 17621975170 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
上海修时生物医药有限公司15002184385 15021598081 15002184385 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]

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