benzyl N-(2,5-dioxooxolan-3-yl)carbamate

HCID 107296CAS 35739-00-5

基本情報

標準SMILES: O=C1CC(NC(=O)OCc2ccccc2)C(=O)O1
InChIKey: OZPYEGOBGWQOSZ-UHFFFAOYSA-N
分子式: C12H11NO5
平均分子量: 249.22 g/mol
単同位体質量: 249.06372245

名称と識別子

優先名称: benzyl N-(2,5-dioxooxolan-3-yl)carbamate
IUPAC: benzyl N-(2,5-dioxooxolan-3-yl)carbamate

名称と別名

35739-00-5benzyl N-(2,5-dioxooxolan-3-yl)carbamateDTXSID70276033RefChem:328677DTXCID70227388832-529-5Benzyl (2,5-dioxotetrahydrofuran-3-yl)carbamateMFCD01217244D-Benzyloxycarbonylaspartic AnhydrideNSC-117449(2,5-Dioxo-tetrahydrofuran-3-yl)carbamic acid benzyl esterNSC117449

名称をさらに表示

P2RY6XP2JTSCHEMBL26173913-(Cbz-amino)dihydrofuran-2,5-dioneN-(Benzyloxycarbonyl)aspartic anhydride3-(Cbz-amino)-2,5-dioxotetrahydrofuranBenzyl (2,5-dioxooxolan-3-yl)carbamateSY126779CS-0047104

データベース識別子

CAS: 35739-00-5
PubChem CID: 107296
DTXSID: DTXSID70276033
UNII: P2RY6XP2JT
EC Number: 832-529-5
Nikkaji: J27.223J

物性

構造計算による物性

XLogP: 0.9
極性表面積: 81.7 Å²
水素結合供与体数: 1
水素結合受容体数: 5
回転可能結合数: 4
重原子数: 18
形式電荷: 0
複雑度: 348

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.