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기본 정보
- CAS
204688-61-9- 표준 SMILES
CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)O)C1- InChIKey
SKEXQIJIXQSFRX-QMMMGPOBSA-N- 분자식
- C11H19NO4
- 평균 분자량
- 229.27 g/mol
- 단동위원소 질량
- 229.13140809
이름 및 식별자
- 우선 이름
- (S)-2-(1-(tert-butoxycarbonyl)pyrrolidin-3-yl)acetic acid
- IUPAC
- 2-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]acetic acid
- 현지명
- (S)-1-N-Boc-3-피롤리딘아세트산
- 영어명
- (S)-1-N-Boc-3-pyrrolidineacetic acid
- 분자식
- C11H19NO4
- 분자량
- 229.27
이름 및 동의어
(s)-2-(1-(tert-butoxycarbonyl)pyrrolidin-3-yl)acetic acid(3S)-1-((1,1-Dimethylethoxy)carbonyl)-3-pyrrolidineacetic acid(3S)-1-[(1,1-Dimethylethoxy)carbonyl]-3-pyrrolidineacetic acidRefChem:407862675-897-0204688-61-9(S)-(1-Boc-Pyrrolidin-3-yl)-acetic acid(S)-1-N-Boc-3-pyrrolidineacetic acids-1-boc-pyrrolidin-3-acetic acid3-PYRROLIDINEACETIC ACID, 1-[(1,1-DIMETHYLETHOXY)CARBONYL]-, (3S)-(S)-N-Boc-3-pyrrolidineacetic acidMFCD05861546
이름 더 보기
(S)-1-N-Boc-3-피롤리딘아세트산(S)-1-Boc-3-pyrrolidineacetic acid(S)-1-Boc-pyrrolidine-3-acetic Acid(3S)-1-Boc-3-pyrrolidineacetic acid(S)-(1-Boc-pyrrolidin-3-yl)acetic acid(S)-(1-Boc-Pyrrolidin-3-yl)-acetic acid, CAS 204688-61-9
2-[(3S)-1-[(tert-butoxy)carbonyl]pyrrolidin-3-yl]acetic acid(s)-3-carboxymethyl-pyrrolidine-1-carboxylic acid tert-butyl ester2-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]acetic acid2-[(3S)-1-tert-butoxycarbonylpyrrolidin-3-yl]acetic acid(S)-1-Boc-3-CarboxymethylpyrrolidineSCHEMBL874037[(3s)-1-(tert-butoxycarbonyl)pyrrolidin-3-yl]acetic acidDTXSID30363615
물성
구조 계산 물성보충 중
- XLogP
- 1
- 극성 표면적
- 66.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 282
물리화학적 성질
- 끓는 점
- 357.4 · 357.4±15.0 °C(Predicted)
- 밀도
- 1.151 · 1.151±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 4.65 · 4.65±0.10(Predicted)
- InChI
- InChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12-5-4-8(7-12)6-9(13)14/h8H,4-7H2,1-3H3,(H,13,14)/t8-/m0/s1
- InChIKey
- SKEXQIJIXQSFRX-QMMMGPOBSA-N
- SMILES
- N1(C(OC(C)(C)C)=O)CC[C@@H](CC(O)=O)C1
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
안전 데이터
- ridadr
- UN2811
화학 및 산업
응용 분야
용도(S)-1-N-Boc-3-pyrrolidineacetic acid is a versatile building block that can be used to create a range of compounds.
공급사100 곳
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
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Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
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