Boc-DL-valine

HCID 270655CAS 13734-41-3

기본 정보

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

이름 및 식별자

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

이름 및 동의어

Boc-DL-valine54895-12-4DTXSID40297033RefChem:330032DTXCID30248170Boc-DL-Val-OH2-((tert-butoxycarbonyl)amino)-3-methylbutanoic aciddl-n-(tert-butoxycarbonyl)valineN-BOC-DL-VALINEN-(tert-butoxycarbonyl)valinen-t-boc-valineBOC-[15N]VAL-OH

이름 더 보기

BOC-VAL-OHBOC-VALBOC-L-VALINEBOC-L-VAL-OH-OHBOC-L-VALBOC-VALINEN-(TERT-BUTOXYCARBONYL)-L-VALINE(S)-2-(tert-butoxycarbonylamino)-3-methylbutanoic acid(2S)-2-(tert-butoxycarbonylamino)-3-methyl-butanoic acid

MFCD000699733-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid2-{[(tert-butoxy)carbonyl]amino}-3-methylbutanoic acid2-[(TERT-BUTOXYCARBONYL)AMINO]-3-METHYLBUTANOIC ACIDNSC197197STK367904NSC-197197AB02648

데이터베이스 식별자

CAS: 13734-41-3、22838-58-0、54895-12-4
PubChem CID: 270655
DTXSID: DTXSID40297033
EC Number: 993-682-2
Nikkaji: J1.513.371F

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 · 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.