기본 정보
- CAS
1030377-21-9- 표준 SMILES
CC(C)(C)OC(=O)N1CCNC[C@H]1CO- InChIKey
BCPPNDHZUPIXJM-QMMMGPOBSA-N- 분자식
- C10H20N2O3
- 평균 분자량
- 216.28 g/mol
- 단동위원소 질량
- 216.1473925
이름 및 식별자
- 우선 이름
- (S)-1-Boc-2-hydroxymethyl-piperazine
- IUPAC
- tert-butyl (2S)-2-(hydroxymethyl)piperazine-1-carboxylate
- 현지명
- 2-하이드록시메틸-피페라진
- 영어명
- (S)-1-Boc-2-(Hydroxymethyl)piperazine
- 분자식
- C10H20N2O3
- 분자량
- 216.28
이름 및 동의어
(S)-1-BOC-2-HYDROXYMETHYL-PIPERAZINERefChem:407793800-589-11030377-21-9(S)-1-Boc-2-(Hydroxymethyl)piperazine(S)-1-Boc-2-hydroxymethylpiperazine(S)-1-Boc-(2-Hydroxymethyl)piperazinetert-butyl (2S)-2-(hydroxymethyl)piperazine-1-carboxylateMFCD07772093(S)-TERT-BUTYL 2-(HYDROXYMETHYL)PIPERAZINE-1-CARBOXYLATESCHEMBL1990452CS-D0657
이름 더 보기
2-하이드록시메틸-피페라진(S)-1-Boc-2-(hyroxyMethyl)piperazine(S)-N1-BOC-2-Hydroxymethyl-piperazine(2S)-2-(Hydroxymethyl)piperazine, N1-BOC protected(S)-tert-butyl 2-(hydroxyMethyl)piperazin-1-carboxylate1,1-Dimethylethyl (2S)-2-(hydroxymethyl)-1-piperazinecarboxylate(S)-2-HYDROXYMETHYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
AC-33626(S)-1-N-BOC-2-HYDROXYMETHYLPIPERAZINE(S)-1-Boc-DTXSID10628734tert-butyl (S)-2-(hydroxymethyl)piperazine-1-carboxylateBCPPNDHZUPIXJM-QMMMGPOBSA-NAKOS005259018DS-11245
데이터베이스 식별자
- CAS
1030377-21-9- PubChem CID
- 22884145
- DTXSID
DTXSID10628734- EC Number
- 800-589-1
물성
구조 계산 물성
- XLogP
- -0.2
- 극성 표면적
- 61.8 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 225
물리화학적 성질
- 끓는 점
- 324 ℃ · 324℃
- 밀도
- 1.085 · 1.085
- 인화점
- 150 ℃ · 150℃
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- 산도 계수 (pKa)
- 14.97 · 14.97±0.10(Predicted)
- InChI
- InChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)12-5-4-11-6-8(12)7-13/h8,11,13H,4-7H2,1-3H3/t8-/m0/s1
- InChIKey
- BCPPNDHZUPIXJM-QMMMGPOBSA-N
- SMILES
- N1(C(OC(C)(C)C)=O)CCNC[C@H]1CO
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.
Warning
H315 (50%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
안전 데이터
- HS 번호
- 2933599590
화학 및 산업
상·하류 제품 정보
상류 원료
공급사92 곳
宁波振岳医药科技有限公司19817745290 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
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]
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]
T&W GROUP021-61551611 13296011611 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
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