L-Serine, methyl ester, hydrochloride (1:1)

HCID 2723730CAS 5680-80-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COC(=O)[C@@H](N)CO.Cl
InChIKey: NDBQJIBNNUJNHA-DFWYDOINSA-N
분자식: C4H10ClNO3
평균 분자량: 155.58 g/mol
단동위원소 질량: 155.03492086

개요

RN given for (HCl, (L)-isomer)

이름 및 식별자

우선 이름: L-Serine, methyl ester, hydrochloride (1:1)
IUPAC: methyl (2S)-2-amino-3-hydroxypropanoate;hydrochloride

이름 및 동의어

5680-80-8DTXSID801323780L-Serine, methyl ester, hydrochloride (1:1)RefChem:924441DTXCID101753190227-140-7L-serine methyl esterSerine methyl esterL-Serine methyl ester hydrochlorideH-Ser-OMe.HClMethyl L-serinate hydrochloride(S)-Methyl 2-amino-3-hydroxypropanoate hydrochloride

이름 더 보기

methyl (2S)-2-amino-3-hydroxypropanoate hydrochlorideMFCD00063680H-Ser-OMe . HCl(2-methoxy-2-oxoethyl)azanium;chloridemethyl serinate hydrochloridemethyl (2S)-2-amino-3-hydroxypropanoate;hydrochlorideSTR01147L-serine methyl ester, hydrochloride

데이터베이스 식별자

CAS: 5680-80-8
PubChem CID: 2723730
DTXSID: DTXSID801323780
ChEMBL: CHEMBL1222334
EC Number: 227-140-7

물성

구조 계산 물성

극성 표면적: 72.6 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 9
형식 전하: 0
복잡도: 83.4

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 57.1% (4 of 7) of all reports.

Warning

H315 (42.9%): 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 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.