Ethyl L-phenylalaninate hydrochloride

HCID 165085CAS 3182-93-2

기본 정보

표준 SMILES: CCOC(=O)[C@@H](N)Cc1ccccc1.Cl
InChIKey: FPFQPLFYTKMCHN-PPHPATTJSA-N
분자식: C11H16ClNO2
평균 분자량: 229.7 g/mol
단동위원소 질량: 229.08695643

이름 및 식별자

우선 이름: Ethyl L-phenylalaninate hydrochloride
IUPAC: ethyl (2S)-2-amino-3-phenylpropanoate;hydrochloride

이름 및 동의어

3182-93-2Ethyl L-phenylalaninate hydrochlorideL-Phenylalanine, ethyl ester, hydrochlorideEthyl L-phenylalaninate HClEINECS 221-673-9phenylalanine ethyl ester hydrochlorideRefChem:596242221-673-9L-Phenylalanine ethyl ester hydrochlorideH-Phe-OEt.HClMFCD00012507ethyl (2S)-2-amino-3-phenylpropanoate hydrochloride

이름 더 보기

H-Phe-OEt HClL-Phenylalanine, ethyl ester, hydrochloride (1:1)ethyl (2S)-2-amino-3-phenylpropanoate;hydrochloride(S)-phenylalanine ethyl ester hydrochlorideH-Phe-OEt . HCl(S)-Ethyl 2-amino-3-phenylpropanoate hydrochloridePhe-OEt.HClL-Phe-OEt.HCl

데이터베이스 식별자

CAS: 3182-93-2
PubChem CID: 165085
DTXSID: DTXSID901366793
UNII: 2MK5NR4RG2
EC Number: 221-673-9

물성

구조 계산 물성

극성 표면적: 52.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 5
무거운 원자 수: 15
형식 전하: 0
복잡도: 176

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.