N-(2-ヒドロキシエチル)カルバミン酸エチル

ethyl N-(2-hydroxyethyl)carbamate

HCID 223805

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基本情報

CAS: 5602-93-7
標準SMILES: CCOC(=O)NCCO
InChIKey: IDWDPUULTDNNBY-UHFFFAOYSA-N
分子式: C5H11NO3
平均分子量: 133.15 g/mol
単同位体質量: 133.07389321

名称と識別子

優先名称: ethyl N-(2-hydroxyethyl)carbamate
IUPAC: ethyl N-(2-hydroxyethyl)carbamate
現地名: N-(2-ヒドロキシエチル)カルバミン酸エチル
英語名: Ethyl N-(2-hydroxyethyl)-carbamate
分子式: C5H11NO3
分子量: 133.15

名称と別名

ethyl N-(2-hydroxyethyl)carbamateRefChem:596292690-609-35602-93-7ethyl (2-hydroxyethyl)carbamateethyl n-(2-hydroxyethyl)-carbamateethyl 2-hydroxy-ethylcarbamateethyl(2-hydroxyethyl)carbamateNSC118052-hydroxyethyl urethaneethyl 2-hyroxyethylcarbamateNCIOpen2_000058

名称をさらに表示

N-(2-ヒドロキシエチル)カルバミン酸エチルEthyl(2-Hydroxy ethyl)carbamateN-(2-hydroxyethyl)carbamic acid ethyl ester(2-HYDROXY-ETHYL)-CARBAMIC ACID ETHYL ESTERCarbamic acid, N-(2-hydroxyethyl)-, ethyl ester

ethyl 2-hydroxyethylcarbamateSCHEMBL499385SCHEMBL499386SCHEMBL1416053SCHEMBL1416054DTXSID20971405IDWDPUULTDNNBY-UHFFFAOYSA-NFAA60293

データベース識別子

CAS: 5602-93-7
PubChem CID: 223805
DTXSID: DTXSID20971405
EC Number: 690-609-3
Nikkaji: J1.485.671D

物性

構造計算による物性

XLogP: -0.4
極性表面積: 58.6 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 4
重原子数: 9
形式電荷: 0
複雑度: 84

物理化学的性質

融点: 87 °C · 87 °C
沸点: 112 · 112-114 °C(Press: 0.6 Torr)
比重(密度): 1.101 · 1.101±0.06 g/cm3(Predicted)
酸解離定数(Pka): 11.99 · 11.99±0.46(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 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.