tert-butyl (S)-2-carbamoylpyrrolidine-1-carboxylate

HCID 7019053

기본 정보

CAS
35150-07-3
표준 SMILES
CC(C)(C)OC(=O)N1CCC[C@H]1C(N)=O
InChIKey
PITJAAIPVBVRAO-ZETCQYMHSA-N
분자식
C10H18N2O3
평균 분자량
214.26 g/mol
단동위원소 질량
214.13174244

이름 및 식별자

우선 이름
tert-butyl (S)-2-carbamoylpyrrolidine-1-carboxylate
IUPAC
tert-butyl (2S)-2-carbamoylpyrrolidine-1-carboxylate
영어명
D-1-N-Boc-prolinamide
분자식
C10H18N2O3
분자량
214.26

이름 및 동의어

tert-Butyl (S)-2-carbamoylpyrrolidine-1-carboxylateRefChem:8919571,1-Dimethylethyl (2S)-2-(aminocarbonyl)-1-pyrrolidinecarboxylate626-262-135150-07-3boc-pro-nh21-Boc-L-prolinamidetert-butyl (2S)-2-carbamoylpyrrolidine-1-carboxylateDL-1-Boc-prolinamide(R)-tert-butyl 2-carbamoylpyrrolidine-1-carboxylateN-Boc-L-prolinamide(s)-tert-butyl 2-carbamoylpyrrolidine-1-carboxylate
이름 더 보기
1-Boc-D-proLBOC-L-PRO-NH2BOC-PYRD(2)-NH2Boc-ProliniamideBOC-L-PROLINAMIDEBoc-D-ProlinamideN-Boc-ProlinamideBOC-D-PROLINEAMIDE
MFCD00190827L-1-N-Boc-prolinamideL-1-N-Boc-prolidinamideSCHEMBL240483CS-D1508tert-Butyl (S)-2-Carbamoyl-1-pyrrolidinecarboxylateN-(tert-Butoxycarbonyl)proline amide(l)-1-n-boc-prolidinamide

데이터베이스 식별자

CAS
35150-07-3
PubChem CID
7019053
DTXSID
DTXSID60956599
ChEMBL
CHEMBL5306371
EC Number
626-262-1
Nikkaji
J978.678C

물성

구조 계산 물성

XLogP
0
극성 표면적
72.6 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
3
무거운 원자 수
15

물리화학적 성질

녹는점
104 · 104-108 °C
끓는 점
370.1 · 370.1±31.0 °C(Predicted)
밀도
1.155 · 1.155±0.06 g/cm3(Predicted)
저장 조건
Keep in dark place,Sealed in dry,Room Temperature
산도 계수 (pKa)
15.97 · 15.97±0.20(Predicted)
물리적 상태
powder to crystal

화학적 성질

White to off-white powder

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 4.7% (2 of 43) of reports.

Warning

H302 (93%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory.;Reported as not meeting GHS hazard criteria per 2 of 43 reports by companies.;There are 2 notifications provided by 41 of 43 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory InformationStatus: Active Update: 28-11-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21339
Hazard Classes and CategoriesAcute Tox. 4 (93%)

규제 정보

Regulatory InformationStatus: Active Update: 28-11-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21339

안전 데이터

wgk
2
HS 번호
2933.99.9701
risk_code
22
hazard_code
Xn
safety_code
24/25
Hazard Classifications
Acute Tox. 4 Oral

화학 및 산업

공급사100 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
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]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

관련 반응

5건

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