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기본 정보
- CAS
426844-23-7- 표준 SMILES
Cl.NC(=O)[C@@H]1C[C@H](F)CN1- InChIKey
YIEACUBSPQGCLW-MMALYQPHSA-N- 분자식
- C5H10ClFN2O
- 평균 분자량
- 168.6 g/mol
- 단동위원소 질량
- 168.0465688
이름 및 식별자
- 우선 이름
- 2-Pyrrolidinecarboxamide, 4-fluoro-, hydrochloride (1:1), (2S,4S)-
- IUPAC
- (2S,4S)-4-fluoropyrrolidine-2-carboxamide;hydrochloride
- 영어명
- 4-cis-Fluoro-L-prolinamide hydrochloride
- 분자식
- C5H10ClFN2O
- 분자량
- 168.6
이름 및 동의어
RefChem:4834522-Pyrrolidinecarboxamide, 4-fluoro-, hydrochloride (1:1), (2S,4S)-426844-23-7(2S,4S)-4-Fluoropyrrolidine-2-carboxamide hydrochloride4-CIS-FLUORO-L-PROLINAMIDE HYDROCHLORIDEMFCD07368567cis-4-Fluoro-L-prolinamide hydrochlorideC5H10ClFN2O(2S,4S)-4-FLUOROPYRROLIDINE-2-CARBOXAMIDE HCL(2S,4S)-4-fluoropyrrolidine-2-carboxamide;hydrochloride(2S,4S)-4-Fluoropyrrolidine-2-carboxamidehydrochlorideAS-41464
이름 더 보기
4-Cis-fluoro-l-prolinamide, HCl-4-Fluoropyrrolidine-2-carboxamide hydrochloride4-CIS-FLUORO-L-PROLINAMIDE HYDROCHLORIDE USP/EP/BP
(2s,4s)-2-carbamoyl-4-fluoropyrrolidine hydrochloride salt(2S,4S)-4-fluoropyrrolidine-2-carboxamide monohydrochlorideSCHEMBL1155011DTXSID10669804YIEACUBSPQGCLW-MMALYQPHSA-NAKOS015950324SY038509CS-0149995
데이터베이스 식별자
- CAS
426844-23-7- PubChem CID
- 45158917
- DTXSID
DTXSID10669804- EC Number
- 670-267-1
물성
구조 계산 물성보충 중
- 극성 표면적
- 55.1 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 128
물리화학적 성질
- 녹는점
- 232 °C · 232°C
- 저장 조건
- Inert atmosphere,Room Temperature
- 물리적 상태
- solid
- 수소이온지수(pH)
- -45 · -45 (c=1 in water)
- InChI
- 1S/C5H9FN2O.ClH/c6-3-1-4(5(7)9)8-2-3;/h3-4,8H,1-2H2,(H2,7,9);1H/t3-,4-;/m0./s1
- InChIKey
- YIEACUBSPQGCLW-MMALYQPHSA-N
- SMILES
- Cl.NC(=O)[C@@H]1C[C@H](F)CN1
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (90.5%): Harmful if swallowed [Warning Acute toxicity, oral]；H317 (90.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 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 CategoriesAcute Tox. 4 (90.5%)；Skin Sens. 1 (90.5%)；Eye Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- HS 번호
- 2933998090
- risk_code
- 22-36-43
- hazard_code
- Xn
- safety_code
- 26-36/37
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Sens. 1
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
공급사38 곳
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]
上海微佳禾生物科技有限公司17502176150; 17502176150 · [email protected]
Syntechem Co.,Ltd[email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海铱鑫医药科技有限公司13671725141 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
Shanghai Hanhong Scientific Co., Ltd.+undefined17612118332 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [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]
上海孟善化工有限公司21-58226973 18917146209 · [email protected]
斯派螺（武汉）药物研发有限公司[email protected]
淄博航宇生物科技发展有限公司13053322091 13053322091 · [email protected]
南京普乐吉生物科技有限公司15261860116 · [email protected]
南通华祥医药科技有限公司+86-15716293042 15716293042 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
江苏阿贝力科技有限公司18901580598 · [email protected]
上海研易宝医药科技有限公司13661744693 · [email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
Aladdin Scientific[email protected]
江苏洪珉药业有限公司18221292452 · [email protected]
嘉兴瑞恒生物科技有限公司0573-0573-82672231 13757365595 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
佰美济华（河南）医药科技有限公司0371-88900765 18037465274 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海齐奥化工科技有限公司021-58892003 · [email protected]
广州科檬生物科技有限公司400-168-9330 15013243073 · [email protected]
CD Chemical Group Limited+86-13651442114 · [email protected]
DONBOO AMINO ACID COMPANY13063595538 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
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