rac-tert-butyl (3aR,6aR)-octahydropyrrolo(2,3-c)pyrrole-1-carboxylate

HCID 29949076

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1018443-32-7
표준 SMILES: CC(C)(C)OC(=O)N1CC[C@@H]2CNC[C@@H]21
InChIKey: OIKZNKIPPFFTKA-BDAKNGLRSA-N
분자식: C11H20N2O2
평균 분자량: 212.29 g/mol
단동위원소 질량: 212.15247788

이름 및 식별자

우선 이름: rac-tert-butyl (3aR,6aR)-octahydropyrrolo(2,3-c)pyrrole-1-carboxylate
IUPAC: tert-butyl (3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxylate
영어명: (3aR,6aR)-tert-Butyl hexahydropyrrolo[3,4-b]pyrrole-1(2H)-carboxylate
분자식: C11H20N2O2
분자량: 212.29

이름 및 동의어

rac-tert-butyl (3aR,6aR)-octahydropyrrolo[2,3-c]pyrrole-1-carboxylaterac-tert-butyl (3aR,6aR)-octahydropyrrolo(2,3-c)pyrrole-1-carboxylateRefChem:874805860-575-61018443-32-7370880-09-4(3aR,6aR)-tert-Butyl hexahydropyrrolo[3,4-b]pyrrole-1(2H)-carboxylatetert-butyl (3ar,6ar)-hexahydropyrrolo[3,4-b]pyrrole-1(2h)-carboxylateMFCD22683891tert-Butyl (3aR,6aR)-octahydropyrrolo[2,3-c]pyrrole-1-carboxylate(3aR,6aR)-Octahydro-pyrrolo[3,4-b]pyrrole-1-carboxylic acid tert-butyl estertert-butyl (3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxylate

이름 더 보기

o[3,4-b]pyrroLhexahydropyrroLe-1(2H)-carboxyL(3aR,6aR)-tert-ButyLtert-butyl (3aR,6aR)-octahydropyrrolo[2,3-c]pyrrole-1-carboxylate - [B86607]Pyrrolo[3,4-b]pyrrole-1(2H)-carboxylic acid, hexahydro-, 1,1-dimethylethyl ester, (3aR,6aR)-

(3aR,6aR)-1-Boc-octahydropyrrolo[3,4-b]pyrrole(3aR, 6aR)-Hexahydro-pyrrolo[3,4-b]pyrrole-1-carboxylic acid tert-butyl esterMFCD12198661tert-butyl (3aS,6aS)-rel-octahydropyrrolo[2,3-c]pyrrole-1-carboxylatePyrrolo[3,4-b]pyrrole-1(2H)-carboxylic acid, hexahydro-, 1,1-dimethylethyl ester, (3aR,6aR)-rel-OIKZNKIPPFFTKA-BDAKNGLRSA-Ncis-1-Boc-octahydropyrrolo[3,4-b]pyrroleSCHEMBL2411163

데이터베이스 식별자

CAS: 1018443-32-7、370880-09-4
PubChem CID: 29949076
DTXSID: DTXSID60652403
EC Number: 860-575-6

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 · 2-8°C
산도 계수 (pKa): 10.66 · 10.66±0.20(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

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