Methyl DL-serinate hydrochloride

HCID 517373

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 5619-04-5
표준 SMILES: COC(=O)C(N)CO.Cl
InChIKey: NDBQJIBNNUJNHA-UHFFFAOYSA-N
분자식: C4H10ClNO3
평균 분자량: 155.58 g/mol
단동위원소 질량: 155.03492086

개요

See also: L-Serine, methyl ester, hydrochloride (1:1) (annotation moved to).

이름 및 식별자

우선 이름: Methyl DL-serinate hydrochloride
IUPAC: methyl 2-amino-3-hydroxypropanoate;hydrochloride
영어명: Methyl-DL-serine hydrochloride
분자식: C4H10ClNO3
분자량: 155.58

이름 및 동의어

Methyl DL-serinate HClMethyl DL-serinate hydrochlorideEINECS 227-047-1EC 227-047-1RefChem:817733227-047-1DL-Serine methyl ester hydrochloride5619-04-5H-DL-Ser-OMe.HClmethyl 2-amino-3-hydroxypropanoate hydrochloridemethyl-dl-serine hydrochlorideMFCD00012593

이름 더 보기

Methyl serinate hydrochlorideH-DL-SER-OME HCLH-DL-Ser-OMe.HCIDL-SERINE-OME HCLSerine Impurity 4TIMTEC-BB SBB004026DL-Serine methyl hydrochloride(±)-Serine methyl hydrochloride

5819-04-5D,L-Serine Methyl Ester Hydrochloridemethyl 2-amino-3-hydroxypropanoate;hydrochlorideL-Serine, methyl ester, hydrochlorideL-Serine, hydrochlorideH-DL-Ser-OMe . HCl(3-hydroxy-1-methoxy-1-oxopropan-2-yl)azanium;chlorideSer-OMe.HCl

데이터베이스 식별자

CAS: 5619-04-5、5680-80-8
PubChem CID: 517373
DTXSID: DTXSID30971577
UNII: A5T83X7GVY
EC Number: 227-047-1

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

물리화학적 성질

녹는점: 134 · 134-136 °C(lit.)
밀도: 1.37 g/cm3 · 1.37g/cm3 at 20℃
저장 조건: -20 °C · -20°C
용해도: 에 용해됨메탄올, 물
물리적 상태: 고체
색상: 흰색에서 황백색까지
BRN: 6067970 · 6067970
주요 응용: 펩타이드 합성
InChI: InChI=1S/C4H9NO3.ClH/c1-8-4(7)3(5)2-6;/h3,6H,2,5H2,1H3;1H
InChIKey: NDBQJIBNNUJNHA-UHFFFAOYSA-N
SMILES: C(N)(CO)C(=O)OC.Cl
LogP: -2 at · -2 at 20℃ and pH7
표면장력: 76 mN/m · 76mN/m at 1g/L and 20℃

화학적 성질

white crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (94.1%): 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 51 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Status: Active Update: 06-07-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/5645

Serine, methyl ester, hydrochloride: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesSkin Irrit. 2 (94.1%)

안전 데이터

wgk: 3
HS 번호: 29225000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-24/25
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도D,L-Serine Methyl Ester Hydrochloride is used as a reactant in the preparation of chicoric acid analogs as HIV-1 integrase inhibitors. Also used in the total synthesis of (-)-Hennoxazole A.