(1R,2S)-2-(tert-부톡시카르보닐아미노)시클로펜탄카르복실산

(1R,2S)-2-(tert-Butoxycarbonylamino)cyclopentanecarboxylic acid

HCID 1268160

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 130981-12-3
표준 SMILES: CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1C(=O)O
InChIKey: BUEPEVBYNBQNED-SFYZADRCSA-N
분자식: C11H19NO4
평균 분자량: 229.27 g/mol
단동위원소 질량: 229.13140809

개요

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이름 및 식별자

우선 이름: (1R,2S)-2-(tert-Butoxycarbonylamino)cyclopentanecarboxylic acid
IUPAC: cis-(1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid
현지명: (1R,2S)-2-(tert-부톡시카르보닐아미노)시클로펜탄카르복실산
영어명: (1R,2S)-2-(tert-butoxycarbonylamino)cyclopentanecarboxylic acid
분자식: C11H19NO4
분자량: 229.27

이름 및 동의어

130981-12-3(1R,2S)-2-(tert-butoxycarbonylamino)cyclopentanecarboxylic acidRefChem:393271812-188-9136315-70-3(1R,2S)-2-((tert-Butoxycarbonyl)amino)cyclopentanecarboxylic acid(1R,2S)-2-(Boc-amino)cyclopentanecarboxylic Acidcis-2-tert-Butoxycarbonylamino-cyclopentanecarboxylic acidcis-2-((tert-Butoxycarbonyl)amino)cyclopentanecarboxylic acidMFCD09750530cis-2-Bocamino-cyclopentanecarboxylic acid(1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid

이름 더 보기

(1R,2S)-2-(tert-부톡시카르보닐아미노)시클로펜탄카르복실산180650tert-butyl N-[(1S,2R)-2-(1-hydroxyethenyl)cyclopentyl]carbamateCis-(1R,2S)-2-((tert-butoxycarbonyl)aMino)cyclopentanecarboxylic acid(1R,2S)-2-[[(1,1-Dimethylethoxy)carbonyl]amino]cyclopentanecarboxylic acid

boc-cis-acpc, AldrichCPR(1R,2S)-2-[(tert-butoxycarbonyl)amino]cyclopentanecarboxylic acidCyclopentanecarboxylic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, (1R,2S)-cis-2-(Boc-amino)cyclopentanecarboxylic AcidCis-2-(tert-butoxycarbonylamino)-1-cyclopentanecarboxylic acidMFCD00800539(1R,2S)-2-{[(tert-butoxy)carbonyl]amino}cyclopentane-1-carboxylic acidCyclopentanecarboxylicacid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, (1R,2S)-rel-

데이터베이스 식별자

CAS: 130981-12-3、136315-70-3
PubChem CID: 1268160
DTXSID: DTXSID40361460
EC Number: 812-188-9
Nikkaji: J1.975.441C

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 75.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 16
형식 전하: 0
복잡도: 282

물리화학적 성질

녹는점: 124 · 124-127 °C
끓는 점: 382.5 · 382.5±31.0 °C(Predicted)
밀도: 1.15 · 1.15±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
물리적 상태: 고체
산도 계수 (pKa): 4.53 · 4.53±0.40(Predicted)
색상: 하얀색
InChI: InChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12-8-6-4-5-7(8)9(13)14/h7-8H,4-6H2,1-3H3,(H,12,15)(H,13,14)/t7-,8+/m1/s1
InChIKey: BUEPEVBYNBQNED-SFYZADRCSA-N
SMILES: [C@@H]1(C(O)=O)CCC[C@@H]1NC(OC(C)(C)C)=O

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)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

HS 번호: 2922498590

화학 및 산업

상·하류 제품 정보

상류 원료

카르밤산,[(1S,2R)-2-(히드록시메틸)시클로펜틸]-,1,1-디메틸에틸 디 -Tert- 부틸 디 카보네이트

공급사47 곳

Zhengzhou Anhuida Chemical Co., Ltd+86-15903659408 · [email protected]

宁波振岳医药科技有限公司19817745290 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

苏州启航生物科技有限公司18151111370 · [email protected]

화합물 노트

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