beta-Alanine, ethyl ester, hydrochloride

HCID 458475CAS 4244-84-2

기본 정보

표준 SMILES: CCOC(=O)CCN.Cl
InChIKey: RJCGNNHKSNIUAT-UHFFFAOYSA-N
분자식: C5H12ClNO2
평균 분자량: 153.61 g/mol
단동위원소 질량: 153.0556563

이름 및 식별자

우선 이름: beta-Alanine, ethyl ester, hydrochloride
IUPAC: ethyl 3-aminopropanoate;hydrochloride

이름 및 동의어

4244-84-2Ethyl beta-alaninate hydrochloridebeta-Alanine, ethyl ester, hydrochlorideRefChem:1079582210-507-0224-203-0ethyl 3-aminopropanoate hydrochloridebeta-Alanine ethyl ester hydrochlorideEthyl 3-aminopropionate hydrochlorideH-beta-Ala-OEt.HClMFCD00012909Ethyl beta-alaninate HCl

이름 더 보기

5PFW4XA3XGb-alanine ethyl ester hydrochlorideethyl 3-aminopropanoate;hydrochlorideEINECS 224-203-0UNII-5PFW4XA3XGNSC-119551SCHEMBL29883-Aminopropionic Acid Ethyl Ester Hydrochloride

데이터베이스 식별자

CAS: 4244-84-2
PubChem CID: 458475
DTXSID: DTXSID60195224
ChEMBL: CHEMBL1880930
UNII: 5PFW4XA3XG
EC Number: 224-203-0

물성

구조 계산 물성

극성 표면적: 52.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 9
형식 전하: 0
복잡도: 72.8

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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.