CAS 65935-09-3 benzyl N-ethylcarbamate (HCID 12384304)

基本情報

CAS: 65935-09-3
標準SMILES: CCNC(=O)OCc1ccccc1
InChIKey: AHPJFFOLNINEFK-UHFFFAOYSA-N
分子式: C10H13NO2
平均分子量: 179.22 g/mol
単同位体質量: 179.09462866

名称と識別子

優先名称: benzyl N-ethylcarbamate
IUPAC: benzyl N-ethylcarbamate
英語名: Ethylcarbamic acid phenylmethyl ester
分子式: C10H13NO2
分子量: 179.22

名称と別名

benzyl N-ethylcarbamateRefChem:566832894-967-365935-09-3Benzyl ethylcarbamateCarbamic acid, ethyl-, phenylmethyl esterBenzylethylcarbamateethyl-carbamic benzyl esterSCHEMBL137308SCHEMBL272183SCHEMBL645150SCHEMBL968357

名称をさらに表示

Ethylcarbamic acid phenylmethyl esterCarbamic acid, N-ethyl-, phenylmethyl ester

SCHEMBL7301816Ethyl-carbamic acid benzyl esterDTXSID70495661AHPJFFOLNINEFK-UHFFFAOYSA-NQCA93509G42371EN300-6499304Z32025015

データベース識別子

CAS: 65935-09-3
PubChem CID: 12384304
DTXSID: DTXSID70495661
EC Number: 894-967-3
Nikkaji: J1.723.796I

物性

構造計算による物性

XLogP: 2
極性表面積: 38.3 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 4
重原子数: 13
形式電荷: 0
複雑度: 153

物理化学的性質

沸点: 90 °C · 90 °C(Press: 50 Torr)
比重(密度): 1.069 · 1.069±0.06 g/cm3(Predicted)
酸解離定数(Pka): 12.84 · 12.84±0.46(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

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.