Glycine, N-[(1,1-dimethylethoxy)carbonyl]-N-methyl- (HCID 83692)

이름 및 식별자

우선 이름: Glycine, N-[(1,1-dimethylethoxy)carbonyl]-N-methyl-
IUPAC: 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
영어명: BOC-SAR-OH
분자식: C8H15NO4
분자량: 189.21

이름 및 동의어

Glycine, N-[(1,1-dimethylethoxy)carbonyl]-N-methyl-N-(tert-butoxycarbonyl)-N-methylglycineEINECS 237-306-0[(tert-Butoxycarbonyl)(methyl)amino]acetic acidN-[(1,1-Dimethylethoxy)carbonyl]-N-methylglycineSARCOSINE,N-TERT.BUTYLOXYCARBONYLGlycine, N-((1,1-dimethylethoxy)carbonyl)-N-methyl-DTXSID9065603N-((1,1-Dimethylethoxy)carbonyl)-N-methylglycineN-((1,1-Dimethylethoxy)carbonyl)sarcosineN-[(1,1-dimethylethoxy)carbonyl]sarcosine((tert-Butoxycarbonyl)(methyl)amino)acetic acid

이름 더 보기

BOC-SAR2-((tert-butoxycarbonyl)(Methyl)aMino)acetic acidBOC-MEGLY-OHBoc-L-Sar-OHBOC-N-ME-GLY-OHN-T-BOC-SARCOSINN-t-Boc-sarcosine

RefChem:663703DTXCID1034420237-306-0InChI=1/C8H15NO4/c1-8(2,3)13-7(12)9(4)5-6(10)11/h5H2,1-4H3,(H,10,11Boc-Sar-OH13734-36-6Boc-sarcosineN-Boc-sarcosine

데이터베이스 식별자

CAS: 13734-36-6
PubChem CID: 83692
DTXSID: DTXSID9065603
UNII: 4WGM9CR39Q
EC Number: 237-306-0
Nikkaji: J266.801G

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 66.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 13
형식 전하: 0
복잡도: 207

물리화학적 성질

녹는점: 88 · 88-90 °C
끓는 점: 324.46 °C · 324.46°C (rough estimate)
밀도: 1.2321 · 1.2321 (rough estimate)
굴절률: 1.454 · 1.4540 (estimate)
저장 조건: 2 · 2-8°C
용해도: 클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 결정 또는 결정성 분말
산도 계수 (pKa): 4.03 · 4.03±0.10(Predicted)
색상: 하얀색
BRN: 2046827 · 2046827
안정성: 흡습성
주요 응용: 펩타이드 합성
InChI: InChI=1S/C8H15NO4/c1-8(2,3)13-7(12)9(4)5-6(10)11/h5H2,1-4H3,(H,10,11)
InChIKey: YRXIMPFOTQVOHG-UHFFFAOYSA-N
SMILES: C(O)(=O)CN(C(OC(C)(C)C)=O)C
EPA: Glycine, N-[(1,1-dimethylethoxy)carbonyl]-N-methyl- (13734-36-6)

화학적 성질

white crystals or crystalline powder

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 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 16-10-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/31806

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29241990
safety_code: 24/25
위험 등급: IRRITANT
F 고인화성물질: 21
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationGlycine, N-[(1,1-dimethylethoxy)carbonyl]-N-methyl-: INACTIVE

응용 분야

용도Boc-N-methylglycine is used in the preparation of Clavatustide A (C563723) and Clavatustide B (C563725), which have been shown to suppress the proliferation of human hepatocellular carcinoma cells under specific conditions.