기본 정보
- 표준 SMILES
Cl.O=C1CN2CCC1CC2- InChIKey
RFDPHKHXPMDJJD-UHFFFAOYSA-N- 분자식
- C7H12ClNO
- 평균 분자량
- 161.63 g/mol
- 단동위원소 질량
- 161.06074168
이름 및 식별자
- 우선 이름
- 1-Azabicyclo(2.2.2)octan-3-one, hydrochloride (1:1)
- IUPAC
- 1-azabicyclo[2.2.2]octan-3-one;hydrochloride
이름 및 동의어
1193-65-3Quinuclidin-3-one hydrochloride1-Azabicyclo[2.2.2]octan-3-one, hydrochloride1-Azabicyclo[2.2.2]octan-3-one, hydrochloride (1:1)EINECS 214-776-5NSC 91498DTXSID40615991-Azabicyclo(2.2.2)octan-3-one, hydrochloride1-Azabicyclo(2.2.2)octan-3-one, hydrochloride (1:1)RefChem:74921DTXCID4033500214-776-5
이름 더 보기
3-Quinuclidinone hydrochloride3-Quinuclidone hydrochloride1-Azabicyclo[2.2.2]octan-3-one hydrochlorideC7H12ClNOMFCD001373913-QUINUCLIDINONE HCL1-azabicyclo[2.2.2]octan-3-one;hydrochloride1-Aza-3-oxobicyclo[2.2.2]octane
데이터베이스 식별자
- CAS
1193-65-3- PubChem CID
- 102019
- DTXSID
DTXSID4061599- ChEMBL
CHEMBL554124- UNII
- FL8QLN58RA
- EC Number
- 214-776-5
물성
구조 계산 물성
- 극성 표면적
- 20.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 136
실험 및 물리화학적 성질
Chemical ClassesNitrogen Compounds -> Other Nitrogen Compounds
Physical DescriptionOff-white powder; [Acros Organics MSDS]
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 2.8% (1 of 36) of reports.
H411 (88.9%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 36 reports by companies from 4 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory InformationStatus: Active Update: 29-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20773
Hazards SummaryMay cause irritation; [Acros Organics MSDS]
Hazard Classes and CategoriesAquatic Chronic 2 (88.9%)
화학 및 산업
용도 및 제조
General Manufacturing Information1-Azabicyclo[2.2.2]octan-3-one, hydrochloride (1:1): ACTIVE
관련 반응
82건
연결된 노트
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