(2R,3S)-2-(4-tert-Btoxycarbonylaminophenyl)piperidine-3-carboxylic acid ethyl ester
기본 정보
- CAS
1257871-36-5- 표준 SMILES
CCOC(=O)[C@H]1CCCN[C@H]1c1ccc(NC(=O)OC(C)(C)C)cc1- InChIKey
LHPXBYPQNSPNGL-HOTGVXAUSA-N- 분자식
- C19H28N2O4
- 평균 분자량
- 348.4 g/mol
- 단동위원소 질량
- 348.20490738
이름 및 식별자
- 우선 이름
- (2R,3S)-2-(4-tert-Btoxycarbonylaminophenyl)piperidine-3-carboxylic acid ethyl ester
- IUPAC
- ethyl (2R,3S)-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]piperidine-3-carboxylate
- 영어명
- ethyl (2R,3S)-2-(4-((tert-butoxycarbonyl)amino)phenyl)piperidine-3-carboxylate
- 분자식
- C19H28N2O4
- 분자량
- 348.44
이름 및 동의어
1257871-36-5RefChem:397543(2R,3S)-2-(4-tert-Btoxycarbonylaminophenyl)piperidine-3-carboxylic acid ethyl ester959-123-11231732-20-9(2R,3S)-ethyl 2-(4-((tert-butoxycarbonyl)amino)phenyl)piperidine-3-carboxylateethyl (2R,3S)-2-(4-((tert-butoxycarbonyl)amino)phenyl)piperidine-3-carboxylateEthyl (2R,3S)-2-(4-{[(tert-butoxy)carbonyl]amino}phenyl)piperidine-3-carboxylaterel-Ethyl (2R,3S)-2-(4-((tert-butoxycarbonyl)amino)phenyl)piperidine-3-carboxylateMFCD30802897ethyl cis-2-[4-(tert-butoxycarbonylamino)phenyl]piperidine-3-carboxylateethyl (2R,3S)-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]piperidine-3-carboxylate
이름 더 보기
AVAC-005(2R,3S)-ethyl 2-(4-((tert-butoxycarbonyl)amino)phenyl)piperidine-3-carboxylate(WXG00047)(2R, 3S) -2- (4- (tert-butylcarbonyl) amino) phenyl) piperidine-3-carboxylic acid ethyl ester3-Piperidinecarboxylic acid, 2-[4-[[(1,1-dimethylethoxy)carbonyl]amino]phenyl]-, ethyl ester, (2R,3S)-
rel-(2R,3S)-Ethyl 2-(4-((tert-butoxycarbonyl)amino)phenyl)piperidine-3-carboxylateSCHEMBL2573911LHPXBYPQNSPNGL-HOTGVXAUSA-NEthyl (2R,3S)-2-[4-(Boc-amino)phenyl]piperidine-3-carboxylateAKOS037647410AS-73582SY471190DB-208531
데이터베이스 식별자
- CAS
1257871-36-5- PubChem CID
- 59376099
- EC Number
- 959-123-1
물성
구조 계산 물성
- XLogP
- 2.6
- 극성 표면적
- 76.7 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 453
물리화학적 성질
- 끓는 점
- 426.1 · 426.1±45.0 °C(Predicted)
- 밀도
- 1.124 · 1.124±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 13.83 · 13.83±0.70(Predicted)
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]
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
관련 반응
3건
화합물 노트
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