기본 정보
- CAS
23632-67-9- 표준 SMILES
O=C(O)CC[C@H]1C(=O)OCN1C(=O)OCc1ccccc1- InChIKey
AYOCGDFDOZVEKT-NSHDSACASA-N- 분자식
- C14H15NO6
- 평균 분자량
- 293.27 g/mol
- 단동위원소 질량
- 293.0899372
이름 및 식별자
- 우선 이름
- (S)-(+)-3-(Benzyloxycarbonyl)-5-oxo-4-oxazolidinepropionic acid
- IUPAC
- 3-[(4S)-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]propanoic acid
- 현지명
- (S)-(+)-3-(벤질록시카르보닐)-5-OXO-4-옥사졸리딘프로피온산
- 영어명
- (S)-(+)-3-(BENZYLOXYCARBONYL)-5-OXO-4-OXAZOLIDINEPROPIONIC ACID
- 분자식
- C14H15NO6
- 분자량
- 293.27
이름 및 동의어
23632-67-9(S)-(+)-3-(Benzyloxycarbonyl)-5-oxo-4-oxazolidinepropionic acidDTXSID70350847RefChem:210981DTXCID10301914623-209-4(S)-3-(3-Cbz-5-oxo-4-oxazolidinyl)propionic AcidMFCD00799475(S)-3-Benzyloxycarbonyl-5-oxo-4-oxazolidinepropanoic Acid(S)-3-CBZ-4-(2-CARBOXYETHYL)-5-OXOOXAZOLIDINE4-Oxazolidinepropanoic acid, 5-oxo-3-[(phenylmethoxy)carbonyl]-, (4S)-3-[(4S)-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]propanoic acid
이름 더 보기
(S)-(+)-3-(벤질록시카르보닐)-5-OXO-4-옥사졸리딘프로피온산(4S)-5-Oxo-3-[(phenylMethoxy)carbonyl]-4-oxazolidinepropanoic Acid(S)-3-(3-((benzyloxy)carbonyl)-5-oxooxazolidin-4 -yl)propanoic acid(S)-(+)-3-(Benzyloxycarbonyl)-5-oxo-4-oxazolidinepropionic acid 97%3-{(4S)-3-[(benzyloxy)carbonyl]-5-oxo-1,3-oxazolidin-4-yl}propanoic acid
(S)-3-(3-((Benzyloxy)carbonyl)-5-oxooxazolidin-4-yl)propanoic acid(4S)-5-Oxo-3-[(phenylmethoxy)carbonyl]-4-oxazolidinepropanoic Acid;SCHEMBL5711299AKOS015913064AS-37188SY096804CS-0062981(4S)-5-Oxo-3-Cbz-4-oxazolidinepropanoic acid
물성
구조 계산 물성
- XLogP
- 1.3
- 극성 표면적
- 93.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 404
물리화학적 성질
- 녹는점
- 68 · 68-69 °C
- 끓는 점
- 557.2 · 557.2±45.0 °C(Predicted)
- 밀도
- 1.05 g/mL · 1.05 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.535(lit.)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- -20 °C · -20°C
- 용해도
- 디클로로메탄, 에틸아세테이트, 메탄올에 용해됨
- 산도 계수 (pKa)
- 4.53 · 4.53±0.10(Predicted)
- 물리적 상태
- 기름
- 색상
- 무색의
- InChI
- 1S/C14H15NO6/c16-12(17)7-6-11-13(18)21-9-15(11)14(19)20-8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,16,17)/t11-/m0/s1
- InChIKey
- AYOCGDFDOZVEKT-NSHDSACASA-N
- SMILES
- OC(=O)CC[C@@H]1N(COC1=O)C(=O)OCc2ccccc2
화학적 성질
Colourless Gel
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 39 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. 2 (100%)；STOT SE 3 (100%)
안전 데이터
- wgk
- 3
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
공급사29 곳
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]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Aladdin Scientific[email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
成都麦卡希化工有限公司028-85632863 18108198598 · [email protected]
广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]
天津卡普希科技有限公司022-66211079 13212288319 · [email protected]
上海宸香医药科技有限公司021-20960837 · [email protected]
苏州美迪森诺医药科技有限公司13771642864 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
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