염화수소화 사르코신 에틸 에스테르

Ethyl N-methylaminoacetate hydrochloride

HCID 171173CAS 52605-49-9

부분 구조 검색 유사 구조 찾기

기본 정보

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

이름 및 식별자

우선 이름: Ethyl N-methylaminoacetate hydrochloride
IUPAC: ethyl 2-(methylamino)acetate;hydrochloride
현지명: 염화수소화 사르코신 에틸 에스테르
영어명: Ethyl sarcosinate hydrochloride
분자식: C5H12ClNO2
분자량: 153.61

이름 및 동의어

Ethyl N-methylaminoacetate hydrochlorideGlycine, N-methyl-, ethyl ester, hydrochlorideEthyl N-methylaminoacetate HClEINECS 258-037-5DTXSID00200588NSC 100148RefChem:596334DTXCID30123079258-037-552605-49-9Sarcosine ethyl ester hydrochlorideEthyl sarcosinate hydrochloride

이름 더 보기

염화수소화사르코신에틸에스테르H-SAR-OET·HCLEthyl sarcosinate HCLethyl methylglycinate hydrochlorideSAR-OET HCLH-SAR-OE HCLL-Sar-OEt·HClH-SAR-OET HCL

H-Sar-OEt.Hclethyl 2-(methylamino)acetate hydrochloridesarcosine ethyl ester HClMFCD00012506ethyl 2-(methylamino)acetate;hydrochlorideSCHEMBL394409Ethyl 2-(methylamino)acetate HClsarcosine ethyl ester hydrochloride salt

데이터베이스 식별자

CAS: 52605-49-9
PubChem CID: 171173
DTXSID: DTXSID00200588
EC Number: 258-037-5

물성

구조 계산 물성

극성 표면적: 38.3 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

실험 및 물리화학적 성질

Chemical ClassesBiological Agents -> Amino Acids and Derivatives

Physical DescriptionWhite hygroscopic crystalline powder; [Acros Organics MSDS]

물리화학적 성질

녹는점: 125 °C · ~125 °C
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 2 O: · H2O: 0.1 g/mL, 투명
물리적 상태: 결정성 분말
색상: 흰색에서 황백색까지
수용성: 0.1 g/mL에 · 물 0.1g/mL에 용해됩니다.
BRN: 3911182 · 3911182
주요 응용: 펩타이드 합성
InChI: InChI=1S/C5H11NO2.ClH/c1-3-8-5(7)4-6-2;/h6H,3-4H2,1-2H3;1H
InChIKey: NIDZUMSLERGAON-UHFFFAOYSA-N
SMILES: C(=O)(OCC)CNC.Cl

화학적 성질

white to off-white crystalline solid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 40% (2 of 5) of reports.

Warning

H315 (60%): 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 5 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Status: Active Update: 29-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25562

Glycine, N-methyl-, ethyl ester, hydrochloride: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryMay cause irritation; [Acros Organics MSDS] See Sarcosine.

Hazard Classes and CategoriesSkin Irrit. 2 (60%)

안전 데이터

wgk: 3
HS 번호: 29299090
risk_code: 36/37/38
safety_code: 24/25
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도Sarcosine ethyl ester hydrochloride is a metabolite of Sarcosine (S140500), which as been found in starfish and sea urchins. It is used as intermediate in the synthesis of antienzyme agents for toothpaste. Found to be a marker for prostate cancer bioagression.