Methyl L-tert-leucinate hydrochloride

HCID 16217630

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 63038-27-7
표준 SMILES: COC(=O)[C@@H](N)C(C)(C)C.Cl
InChIKey: HRTQWUHFSXVRPY-NUBCRITNSA-N
분자식: C7H16ClNO2
평균 분자량: 181.66 g/mol
단동위원소 질량: 181.08695643

이름 및 식별자

우선 이름: Methyl L-tert-leucinate hydrochloride
IUPAC: methyl (2S)-2-amino-3,3-dimethylbutanoate;hydrochloride
영어명: L-tert-Leucine methyl ester hydrochloride
분자식: C7H16ClNO2
분자량: 181.66

이름 및 동의어

L-tert-Leucine methyl ester hydrochloride63038-27-7methyl (2S)-2-amino-3,3-dimethylbutanoate hydrochloridemethyl L-tert-leucinate hydrochlorideLIZ1L06TSFL-Valine, 3-methyl-, methyl ester, hydrochloride (1:1)RefChem:817826613-136-6H-Tle-OMe.HClMFCD00040604(S)-methyl 2-amino-3,3-dimethylbutanoate hydrochlorideL-tert-Leucine methyl ester, HCl

이름 더 보기

methyl (S)-2-amino-3,3-dimethylbutanoate hydrochlorideL-Tle-OMe·HClH-Tert-Leu-Ome.HCLL-tert-leucine MethyL-TERT-LEUCINE-OME HClL-(+)-methyl-tert-leucinateHCl3-dimethylbutanoate hydrochloride3-Methyl-L-valine methyl ester HClL-tertaminoacidmethyl esterhydrochloride

(S)-2-Amino-3,3-dimethylbutyric Acid Methyl Ester Hydrochloridemethyl (2S)-2-amino-3,3-dimethylbutanoate;hydrochloridemethyl 3-methyl-L-valinate hydrochlorideMethyl (S)-2-Amino-3,3-dimethylbutyrate Hydrochloride3-Methyl-L-valine Methyl Ester Hydrochloride; L-tert-Butylglycine Methyl Ester Hydrochloride; Methyl (2S)-2-Amino-3,3-dimethylbutanoate Hydrochloride; Methyl (S)-2-Amino-3,3-dimethylbutanoate HydrochlorideL-Tle-Ome.HCIL-TERT-LEUCINE METHYL ESTER HCLUNII-LIZ1L06TSF

데이터베이스 식별자

CAS: 63038-27-7
PubChem CID: 16217630
DTXSID: DTXSID70584463
UNII: LIZ1L06TSF
EC Number: 613-136-6

물성

구조 계산 물성

극성 표면적: 52.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 11
형식 전하: 0
복잡도: 126

물리화학적 성질

녹는점: 183 · 183-186 °C
굴절률: 16.5 ° · 16.5 ° (C=1, MeOH)
저장 조건: 2 · 2-8°C
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨), 물(약간 용해됨)
물리적 상태: 고체
색상: 하얀색
BRN: 4879785 · 4879785
주요 응용: 세포 분석펩타이드 합성
InChI: InChI=1/C7H15NO2.ClH/c1-7(2,3)5(8)6(9)10-4;/h5H,8H2,1-4H3;1H/t5-;/s3
InChIKey: HRTQWUHFSXVRPY-USHJBNIQNA-N
SMILES: [C@@H](N)(C(=O)OC)C(C)(C)C.Cl |&1:0,r|

화학적 성질

White to off-white powder

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.

Warning

H315 (33.3%): 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 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (33.3%)

안전 데이터

wgk: 3
HS 번호: 29224999
safety_code: 24/25
F 고인화성물질: 3-10-21
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도L-tert-Leucine Methyl Ester Hydrochloride is used in the preparation of peptidomimetic protease inhibitors.

상·하류 제품 정보

상류 원료

공급사100 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

黄冈森阳化工有限公司0713-8205211 17671088222 · [email protected]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

科瑞迪化学400-821-5857 021-64326257 · [email protected]

추가 설명

정의L-tert-Leucine Methyl Ester Hydrochloride is a leucine derivative.

화합물 노트

불러오는 중…