Ethyl 3-amino-3-phenylpropanoate

HCID 236379

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 6335-76-8
標準SMILES: CCOC(=O)CC(N)c1ccccc1
InChIKey: NUWRDXMXYDWUAN-UHFFFAOYSA-N
分子式: C11H15NO2
平均分子量: 193.24 g/mol
単同位体質量: 193.11027872

名称と識別子

優先名称: Ethyl 3-amino-3-phenylpropanoate
IUPAC: ethyl 3-amino-3-phenylpropanoate
英語名: ethyl 3-amino-3-phenylpropanoate
分子式: C11H15NO2
分子量: 193.24

名称と別名

ethyl 3-amino-3-phenylpropanoateNSC 38811DTXSID10284758EC 613-206-6RefChem:594829DTXCID30235909613-206-66335-76-83-Amino-3-phenyl-propionic acid ethyl esterMFCD00749016ethyl 3-amino-3-phenyl-propanoateethyl 3-amino-3-phenylpropionate

名称をさらに表示

-propionic acid ethyLEthyl 3-amino-3-phenylpropionate 95+%ETHYL-3-AMINO-3-PHENYLPROPANOATEhyHCLbeta-Aminobenzenepropanoic acid ethyl esterBenzenepropanoic acid, β-amino-, ethyl esterBenzenepropanoic acid, b-aMino-, ethyl ester

ethyl3-amino-3-phenylpropanoateethyl 3-amino-3-phenyl-propanoate hydrochloride3-amino-3-phenylpropanoic acid ethyl esterNSC38811Oprea1_019872Oprea1_452713SCHEMBL1138729DTXSID40902791

データベース識別子

CAS: 6335-76-8
PubChem CID: 236379
DTXSID: DTXSID10284758
EC Number: 613-206-6
Nikkaji: J1.252.657A

物性

構造計算による物性

XLogP: 1.6
極性表面積: 52.3 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 5
重原子数: 14
形式電荷: 0
複雑度: 176

物理化学的性質

融点: 111 · 111-112℃ (water ethanol )
沸点: 155 °C · 155 °C(Press: 13 Torr)
比重(密度): 1.075 · 1.075±0.06 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
酸解離定数(Pka): 7.75 · 7.75±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]；H412 (97.5%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P264, P270, P273, P301+P317, P330, 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.