TERT-부틸헥사히드로피롤로[3,4-B]피롤-5(1H)-카르복실레이트

1,1-Dimethylethyl hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate

HCID 22562205

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 132414-81-4
표준 SMILES: CC(C)(C)OC(=O)N1CC2CCNC2C1
InChIKey: NYGXZCRPVBPJTA-UHFFFAOYSA-N
분자식: C11H20N2O2
평균 분자량: 212.29 g/mol
단동위원소 질량: 212.15247788

이름 및 식별자

우선 이름: 1,1-Dimethylethyl hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate
IUPAC: tert-butyl 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxylate
현지명: TERT-부틸헥사히드로피롤로[3,4-B]피롤-5(1H)-카르복실레이트
영어명: TERT-BUTYL HEXAHYDROPYRROLO[3,4-B]PYRROLE-5(1H)-CARBOXYLATE
분자식: C11H20N2O2
분자량: 212.29

이름 및 동의어

132414-81-41,1-Dimethylethyl hexahydropyrrolo(3,4-b)pyrrole-5(1H)-carboxylate1,1-Dimethylethyl hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylateRefChem:2139395-Boc-hexahydropyrrolo[3,4-b]pyrroletert-butyl hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate5-N-Boc-Hexahydro-pyrrolo[3,4-b]pyrroleMFCD08235016tert-butyl 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxylatetert-butyl octahydropyrrolo[3,4-b]pyrrole-5-carboxylatePyrrolo[3,4-b]pyrrole-5(1H)-carboxylic acid, hexahydro-, 1,1-dimethylethyl esterHexahydro-pyrrolo[3,4-b]pyrrole-5-carboxylic acid tert-butyl ester

이름 더 보기

TERT-부틸헥사히드로피롤로[3,4-B]피롤-5(1H)-카르복실레이트Tert-butyl 2,7-diazabicyclo[3.3.0]octan-7-carboxylatet-butyl hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate5-Methyl-2-(1-Methylethoxy)-4- (4-piperidinyl)- BenzenaMtert-Butyl hexahydropyrrolo3,4-bpyrrol-5(1H)-carboxylateTERT-BUTYL HEXAHYDROPYRROLO[3,4-B]PYRROLE-5(1H)-CARBOXYLATHexahydropyrrolo[3,4-b]pyrrole-5-carboxylic acid tert-butyl ester

AKOS015854423CS-W003478AC-30763cis-5-Boc-hexahydropyrrolo[3,4-b]pyrrolecis-hexahydro-pyrrolo[3,4-b]pyrrole-5-carboxylic acid tert-butyl ester(3AR,6aR)-tert-Butyl hexahydropyrrolo-[3,4-b]pyrrole-5(1H)-carboxylatetert-butyl (3aRS,6aRS)-hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate(3aR, 6aR)-Hexahydro-pyrrolo[3,4-b]pyrrole-5-carboxylic acid tert-butyl ester

데이터베이스 식별자

CAS: 132414-81-4、370882-55-6
PubChem CID: 22562205
DTXSID: DTXSID70927674
EC Number: 808-415-6、884-854-7

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 41.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 260

물리화학적 성질

끓는 점: 295.4 · 295.4±13.0 °C(Predicted)
밀도: 1.076 · 1.076±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
물리적 상태: solid
산도 계수 (pKa): 10.72 · 10.72±0.20(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.