2-(4-BOC-피페라지닐)-2-(3-피리디닐)아세트산
4-((1,1-Dimethylethoxy)carbonyl)-alpha-3-pyridinyl-1-piperazineacetic acid
기본 정보
- CAS
885274-51-1- 표준 SMILES
CC(C)(C)OC(=O)N1CCN(C(C(=O)O)c2cccnc2)CC1- InChIKey
UOZAIRMXJCRTJN-UHFFFAOYSA-N- 분자식
- C16H23N3O4
- 평균 분자량
- 321.37 g/mol
- 단동위원소 질량
- 321.16885622
이름 및 식별자
- 우선 이름
- 4-((1,1-Dimethylethoxy)carbonyl)-alpha-3-pyridinyl-1-piperazineacetic acid
- IUPAC
- 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-pyridin-3-ylacetic acid
- 현지명
- 2-(4-BOC-피페라지닐)-2-(3-피리디닐)아세트산
- 영어명
- 2-(4-BOC-PIPERAZINYL)-2-(3-PYRIDINYL)ACETIC ACID
- 분자식
- C16H23N3O4
- 분자량
- 321.37
이름 및 동의어
885274-51-14-((1,1-Dimethylethoxy)carbonyl)-alpha-3-pyridinyl-1-piperazineacetic acid4-[(1,1-Dimethylethoxy)carbonyl]-alpha-3-pyridinyl-1-piperazineacetic acidRefChem:2862551-Boc-4-(carboxy-pyridin-3-yl-methyl)-piperazine2-(4-(tert-Butoxycarbonyl)piperazin-1-yl)-2-(pyridin-3-yl)acetic acid2-(4-Boc-piperazino)-2-(3-pyridyl)acetic acid2-(4-Boc-piperazinyl)-2-(3-pyridinyl)acetic acidMFCD041151512-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-pyridin-3-ylacetic acid2-(4-Boc-piperazinyl)-2-(3-pyridinyl)-acetic acida-3-Pyridinyl-4-Boc-1-piperazineacetic acid
이름 더 보기
2-(4-BOC-피페라지닐)-2-(3-피리디닐)아세트산ALPHA-(4-BOC-PIPERAZINYL)-ALPHA-(3-PYRIDINYL)ACETIC ACID2-(4-Boc-piperazino)-2-(3-pyridyl)acetic acid purum, >=97.0% (HPLC)2-(4-(Tert-Butoxy)Carbonyl piperazinyl)-Alpha-(3-pyridinyl)acetic acid4-[(1,1-Dimethylethoxy)carbonyl]-α-3-pyridinyl-1-piperazineacetic acid1-Piperazineacetic acid, 4-[(1,1-dimethylethoxy)carbonyl]-α-3-pyridinyl-
2-{4-[(tert-butoxy)carbonyl]piperazin-1-yl}-2-(pyridin-3-yl)acetic acidSCHEMBL19668681SCHEMBL29363322DTXSID60376117[4-(tert-Butoxycarbonyl)piperazin-1-yl](pyridin-3-yl)acetic acidAKOS015949979HY-W141898SB39421
데이터베이스 식별자
- CAS
885274-51-1- PubChem CID
- 2762245
- DTXSID
DTXSID60376117- EC Number
- 806-327-2
물성
구조 계산 물성
- XLogP
- -1.1
- 극성 표면적
- 83 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 428
물리화학적 성질
- 끓는 점
- 461.6 · 461.6±45.0 °C(Predicted)
- 밀도
- 1.24 · 1.240±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 1.19 · 1.19±0.10(Predicted)
- 물리적 상태
- powder or crystals
- 색상
- white to faint beige
- 주요 응용
- 펩타이드 합성
- InChI
- 1S/C16H23N3O4/c1-16(2,3)23-15(22)19-9-7-18(8-10-19)13(14(20)21)12-5-4-6-17-11-12/h4-6,11,13H,7-10H2,1-3H3,(H,20,21)
- InChIKey
- UOZAIRMXJCRTJN-UHFFFAOYSA-N
- SMILES
- CC(C)(C)OC(=O)N1CCN(CC1)C(C(O)=O)c2cccnc2
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)
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.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
관련 반응
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