Boc-L-Valine

HCID 83693CAS 13734-41-3

기본 정보

표준 SMILES: CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)O
InChIKey: SZXBQTSZISFIAO-ZETCQYMHSA-N
분자식: C10H19NO4
평균 분자량: 217.26 g/mol
단동위원소 질량: 217.13140809

이름 및 식별자

우선 이름: Boc-L-Valine
IUPAC: (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
영어명: N-Boc-L-valine
분자식: C10H19NO4
분자량: 217.26

이름 및 동의어

Boc-L-valine13734-41-3L-Valine, N-[(1,1-dimethylethoxy)carbonyl]-L-Valine, N-((1,1-dimethylethoxy)carbonyl)-DTXSID50884635RefChem:1080068DTXCID401024065Boc-Val-OHN-(tert-Butoxycarbonyl)-L-valineN-Boc-L-valineBoc-L-Val-OHtert-Butoxycarbonylvaline

이름 더 보기

BOC-VAL-OHBOC-L-VAL(S)-2-(tert-butoxycarbonylamino)-3-methylbutanoic acid(2S)-2-(tert-butoxycarbonylamino)-3-methyl-butanoic acid

(S)-2-(Boc-amino)-3-methylbutyric acidMFCD00065605N-tert-Butyloxycarbonyl-L-valineBoc-valine(S)-2-((tert-Butoxycarbonyl)amino)-3-methylbutanoic acidN-tert-Butoxycarbonyl-L-valineN-t-butyloxycarbonyl-N-methyl-L-valineN-tert-Butoxycarbonylvaline

데이터베이스 식별자

CAS: 13734-41-3
PubChem CID: 83693
DTXSID: DTXSID50884635
ChEMBL: CHEMBL5305170
UNII: 28R8GK7LBC
EC Number: 237-307-6
Nikkaji: J208.145H

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 75.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 5
무거운 원자 수: 15
형식 전하: 0
복잡도: 242

물리화학적 성질

녹는점: 77 · 77-80 °C(lit.)
끓는 점: 357.82 °C · 357.82°C (rough estimate)
밀도: 1.1518 · 1.1518 (rough estimate)
증기압: 0.002 Pa · 0.002Pa at 25℃
굴절률: -6.5 ° · -6.5 ° (C=1, AcOH)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 에 용해됨클로로포름, DMF, DMSO, 메탄올
산도 계수 (pKa): 4.01 · 4.01±0.10(Predicted)
물리적 상태: 미세 결정성 분말
색상: 하얀색
수용성: 불용성
BRN: 1711290 · 1711290
주요 응용: 펩타이드 합성
InChI: 1S/C10H19NO4/c1-6(2)7(8(12)13)11-9(14)15-10(3,4)5/h6-7H,1-5H3,(H,11,14)(H,12,13)/t7-/m0/s1
InChIKey: SZXBQTSZISFIAO-ZETCQYMHSA-N
SMILES: CC(C)[C@H](NC(=O)OC(C)(C)C)C(O)=O
LogP: 1.752 at · 1.752 at 25℃
EPA: L-Valine, N-[(1,1-dimethylethoxy)carbonyl]- (13734-41-3)

화학적 성질

N-tert-butoxycarbonyl-L-proline is white fine crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 88.9% (16 of 18) of all reports.

Warning

H315 (11.1%): 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 18 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 28-10-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/11807

Hazard Classes and CategoriesSkin Irrit. 2 (11.1%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 2924 19 00
risk_code: 20/21/22-36/37/38
hazard_code: Xn
safety_code: 24/25-36-26
위험 등급: IRRITANT
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationL-Valine, N-[(1,1-dimethylethoxy)carbonyl]-: INACTIVE

응용 분야

용도N-Boc-L-valine is used in the multi-peptide synthesis and serves as the amino acid protection monomer.

상·하류 제품 정보

상류 원료

L-(+)-발린

하류 제품

Boc-N-Me-Val-OH Boc-L-beta-homovaline 안지오텐신I,인간 Valaciclovir ANGIOTENSIN II, HUMAN Boc-Val-Ala-OBn N-Cyclopropyl L-valinamide N-Cyclopentyl L-Z-ValinaMide 아마스테인

공급사50 곳

北京华美互利生物化工010-56205725 · [email protected]

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]

南京一化生物科技有限公司13429882898; 13429882898

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

연결된 노트

불러오는 중…