기본 정보
- CAS
913574-96-6- 표준 SMILES
O=C(OCc1ccccc1)N1CC[C@@H](O)[C@H](F)C1- InChIKey
RKRKELORNFODMN-VXGBXAGGSA-N- 분자식
- C13H16FNO3
- 평균 분자량
- 253.27 g/mol
- 단동위원소 질량
- 253.11142153
이름 및 식별자
- 우선 이름
- benzyl (3R,4R)-3-fluoro-4-hydroxypiperidine-1-carboxylate
- IUPAC
- benzyl (3R,4R)-3-fluoro-4-hydroxypiperidine-1-carboxylate
- 현지명
- 트랜스-1-Cbz-3-플루오로-4-하이드록시피페리딘
- 영어명
- trans-1-Cbz-3-fluoro-4-hydroxypiperidine
- 분자식
- C13H16FNO3
- 분자량
- 253.27
이름 및 동의어
1554141-63-7benzyl (3R,4R)-3-fluoro-4-hydroxypiperidine-1-carboxylate913574-96-6trans-1-cbz-3-fluoro-4-hydroxypiperidine(3R,4R)-Benzyl 3-fluoro-4-hydroxypiperidine-1-carboxylateMFCD27978545(3R,4R)-Benzyl3-fluoro-4-hydroxypiperidine-1-carboxylatetrans-Benzyl 3-fluoro-4-hydroxypiperidine-1-carboxylateSCHEMBL2220843benzyl trans-3-fluoro-4-hydroxypiperidine-1-carboxylateRKRKELORNFODMN-VXGBXAGGSA-NAKOS030529472
이름 더 보기
트랜스-1-Cbz-3-플루오로-4-하이드록시피페리딘trans-1-Cbz-3-Fluoropiperidin-4-oltrans-benzyl3-fluoro-4-hydroxypiperidine-1-carboxylateTrans benzyl-3-fluoro-4-hydroxypiperidine-1-carboxylatbenzyl trans-3-fluoro-4-hydroxy-piperidine-1-carboxylatebenzyl (3S,4S)-3-fluoro-4-hydroxypiperidine-1-carboxylaterel-(Benzyl (3R,4R)-3-fluoro-4-hydroxypiperidine-1-carboxylate)1-Piperidinecarboxylicacid, 3-fluoro-4-hydroxy-, phenylmethyl ester,(3R,4R)-rel-
AS-39808CS-0058654P15711rac-benzyl trans-3-fluoro-4-hydroxypiperidine-1-carboxylatebenzyl (3R,4R)-3-fluoro-4-hydroxy-piperidine-1-carboxylateracemic (trans)-benzyl 3-fluoro-4-hydroxypiperidine-1-carboxylate(+/-)-trans-3-fluoro-4-hydroxy-piperidine-1-carboxylic acid benzyl esterBENZYL Trans-3-FLUORO-4-HYDROXYPIPERIDINE-1-CARBOXYLATE RACEMATE
물성
구조 계산 물성
- XLogP
- 1.5
- 극성 표면적
- 49.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 281
물리화학적 성질
- 끓는 점
- 393.4 · 393.4±42.0 °C(Predicted)
- 밀도
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- 저장 조건
- 0 · Store at 0-8 °C
- 물리적 상태
- solid
- 산도 계수 (pKa)
- 13 · 13+-.0.40(Predicted)
- InChI
- 1S/C13H16FNO3/c14-11-8-15(7-6-12(11)16)13(17)18-9-10-4-2-1-3-5-10/h1-5,11-12,16H,6-9H2/t11-,12-/m1/s1
- InChIKey
- RKRKELORNFODMN-VXGBXAGGSA-N
- SMILES
- O[C@H]1CCN(C(OCC2=CC=CC=C2)=O)C[C@@H]1F
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 3 (100%)
안전 데이터
- wgk
- WGK 3
- ridadr
- UN 2811 6.1 / PGIII
- Hazard Classifications
- Acute Tox. 3 Oral
- 스토리지 클래스
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
화학 및 산업
공급사30 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]
河南闰霖化工有限公司+86-18738066252; +86-18738066252 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Aladdin Scientific[email protected]
NINGBOBENKANGJS PHARMTECHCO., LTD+8615990591583 15990591583
艾琪康医药科技（上海）有限公司13661411401 · [email protected]
宁波苯康基石医药科技有限公司15990591583
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
金瓯生物医药（南京）有限公司13000000000 · [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]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
관련 반응
7건
화합물 노트
불러오는 중…