2,5-DIAZA-BICYCLO[2.2.1]헵탄-2-카르복실산TERT-부틸에스테르
(1S,4S)-tert-butyl 2,5-diazabicyclo(2.2.1)heptane-2-carboxylate
기본 정보
- CAS
198989-07-0- 표준 SMILES
CC(C)(C)OC(=O)N1CC2CC1CN2- InChIKey
UXAWXZDXVOYLII-UHFFFAOYSA-N- 분자식
- C10H18N2O2
- 평균 분자량
- 198.26 g/mol
- 단동위원소 질량
- 198.13682782
개요
See also: N-Boc-2,5-diazabicyclo[2.2.1]heptane (annotation moved to).
이름 및 식별자
- 우선 이름
- (1S,4S)-tert-butyl 2,5-diazabicyclo(2.2.1)heptane-2-carboxylate
- IUPAC
- tert-butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
- 현지명
- 2,5-DIAZA-BICYCLO[2.2.1]헵탄-2-카르복실산TERT-부틸에스테르
- 영어명
- 2,5-Diaza-bicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester
- 분자식
- C10H18N2O2
- 분자량
- 198.26
이름 및 동의어
(1S,4S)-tert-butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylateRefChem:394209(1S,4S)-tert-butyl 2,5-diazabicyclo(2.2.1)heptane-2-carboxylate946-616-1198989-07-0Tert-butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate2,5-Diazabicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl esterN-Boc-2,5-diaza-bicyclo[2.2.1]heptane2,5-DIAZA-BICYCLO[2.2.1]HEPTANE-2-CARBOXYLIC ACID TERT-BUTYL ESTER2-Boc-2,5-diazabicyclo[2.2.1]heptane2,5-DIAZABICYCLO[2.2.1]HEPTANE-2-CARBOXYLIC ACID, 1,1-DIMETHYLETHYL ESTERMFCD06411671
이름 더 보기
2,5-DIAZA-BICYCLO[2.2.1]헵탄-2-카르복실산TERT-부틸에스테르2,5-DIAZA-BICYCLO[2.2.1]HEPTANE-2-CARBOXYLIC ACIDtert-Butyl 2,5-azabicyclo[2.2.1]heptane-2-carboxylate2-(tert-Butyloxycarbonyl)-2,5-diazabicyclo[2.2.1]heptaneTert butyl 2,5-azabicyclo [2.2.1] heptane-2-carboxylic acid1,1-Dimethylethyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate2,5-DIAZA-BICYCLO[2.2.1]HEPTANE-2-CARBOXYLIC ACID TERT-BUTYL...2,5-Diazabicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester - [D6169]
trans-2-Boc-2,5-diazabicyclo[2.2.1]heptane(1S,4S)-N-Boc-2,5-diaza-bicyclo[2.2.1]heptane(1S,4S)-(-)-2-Boc-2,5-diazabicyclo[2.2.1]heptane2,5-DIAZABICYCLOSCHEMBL242023SCHEMBL648426(1S,4S)-N-(tert-Butoxycarbonyl)-2,5-diazabicyclo[2.2.1]heptaneSCHEMBL4733143
데이터베이스 식별자
- CAS
198989-07-0- PubChem CID
- 2760898
- DTXSID
DTXSID60375403- ChEMBL
CHEMBL5200084- EC Number
- 946-616-1
물성
구조 계산 물성
- XLogP
- 0.7
- 극성 표면적
- 41.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 247
물리화학적 성질
- 녹는점
- 75 · 75-77°C
- 끓는 점
- 276 ℃ · 276℃
- 밀도
- 1.104 · 1.104
- 인화점
- 121 ℃ · 121℃
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- 산도 계수 (pKa)
- 9.74 · 9.74±0.20(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%)
안전 데이터
- HS 번호
- 2933998090
관련 반응
99건
화합물 노트
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