기본 정보
- CAS
72925-16-7- 표준 SMILES
CC(C)(C)OC(=O)N1CC[C@@H](C(=O)O)C1- InChIKey
HRMRQBJUFWFQLX-SSDOTTSWSA-N- 분자식
- C10H17NO4
- 평균 분자량
- 215.25 g/mol
- 단동위원소 질량
- 215.11575802
이름 및 식별자
- 우선 이름
- (3R)-1-[(tert-butoxy)carbonyl]pyrrolidine-3-carboxylic acid
- IUPAC
- (3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
- 영어명
- (R)-1-N-Boc-beta-proline
- 분자식
- C10H17NO4
- 분자량
- 215.25
이름 및 동의어
(3R)-1-[(tert-butoxy)carbonyl]pyrrolidine-3-carboxylic acid(3R)-1-((tert-butoxy)carbonyl)pyrrolidine-3-carboxylic acidRefChem:4007351-(1,1-Dimethylethyl) (3R)-1,3-pyrrolidinedicarboxylate674-617-472925-16-7(R)-1-N-Boc-beta-proline(R)-1-(tert-butoxycarbonyl)pyrrolidine-3-carboxylic acid(R)-1-Boc-pyrrolidine-3-carboxylic acidMFCD03094727(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acidN-BOC-D-BETA-PROLINE
이름 더 보기
(S)-1-(tert-butoxycarbonyl)pyrrolidine-3-carboxylic acidB67255BOC-L-B-PROLINEBoc-D-beta-Proline(3S)-BOC-BETA-PRO-OH(R)-N-Boc-Beta-ProlineN-Boc-D-^b-proline, 95%(S)-1-N-BOC-BETA-PROLINE
(R)-1-BOC-3-PYRROLIDINECARBOXYLIC ACID(R)-1-N-Boc-ss-prolineCS-B0422(3r)-1-(tert-butoxycarbonyl)pyrrolidine-3-carboxylic acid(r)-1-n-boc-pyrrolidine-3-carboxylic acid(3R)-1-(TERT-BUTOXYCARBONYL)-3-PYRROLIDINECARBOXYLIC ACID(r)-1-boc-3-carboxyl pyrrolidine(s)-1-n-boc-pyrrolidine-3-carboxylic acid
물성
구조 계산 물성
- XLogP
- 0.8
- 극성 표면적
- 66.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 269
물리화학적 성질
- 녹는점
- 138 · 138-143°C
- 끓는 점
- 337.2 · 337.2±35.0 °C(Predicted)
- 밀도
- 1.201 · 1.201±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 용해도
- 디메틸설폭사이드(DMSO)에 용해됩니다.
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 4.47 · 4.47±0.20(Predicted)
- 색상
- 흰색에서 황백색까지
- InChI
- InChI=1S/C10H17NO4/c1-10(2,3)15-9(14)11-5-4-7(6-11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)/t7-/m1/s1
- InChIKey
- HRMRQBJUFWFQLX-SSDOTTSWSA-N
- SMILES
- N1(C(OC(C)(C)C)=O)CC[C@@H](C(O)=O)C1
안전 및 규제
GHS 분류
GHS Classification
Warning
H400 (97.7%): 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 43 reports by companies from 5 notifications to the ECHA C&L Inventory.；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
Hazard Classes and CategoriesAquatic Acute 1 (97.7%)
안전 데이터
- wgk
- 3
- ridadr
- UN 3077 9 / PGIII
- HS 번호
- 29339900
- risk_code
- 36/37/38-50
- hazard_code
- N
- safety_code
- 26-36/37/39-61
- Hazard Classifications
- Aquatic Acute 1
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도It is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuffs.
상·하류 제품 정보
상류 원료
하류 제품
공급사100 곳
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]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司
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