기본 정보
- CAS
1046153-20-1- 표준 SMILES
C1CNCC2(C1)COC2- InChIKey
SDESQEIYRGXXPA-UHFFFAOYSA-N- 분자식
- C7H13NO
- 평균 분자량
- 127.18 g/mol
- 단동위원소 질량
- 127.09971404
이름 및 식별자
- 우선 이름
- 2-Oxa-6-azaspiro[3.5]nonane
- IUPAC
- 2-oxa-8-azaspiro[3.5]nonane
- 현지명
- 2-옥사-6-아자스피로[3.5]노난
- 영어명
- 2-Oxa-6-azaspiro[3.5]nonane
- 분자식
- C7H13NO
- 분자량
- 127.18
이름 및 동의어
2-Oxa-6-azaspiro[3.5]nonane1046153-20-1DTXSID406798552-Oxa-6-azaspiro(3.5)nonaneRefChem:264543DTXCID00630604664-437-42-oxa-8-azaspiro[3.5]nonaneMFCD124070956-Aza-2-oxaspiro[3.5]nonaneSCHEMBL12476254AKOS005266505
이름 더 보기
2-옥사-6-아자스피로[3.5]노난2-Oxa-6-azaspiro3.5none2-Oxa-6-azaspiro[3.5]nona...2-Oxa-6-azaspiro[3.5]nonane oxalate2-oxa-6-azaspiro[3.5]nonane - [X81200]2-Oxa-6-azaspiro[3.5]nonane oxalate 95%
AS-32707SY008750FT-0684547SCHEMBL37150792-Oxa-6-aza-spiro[3,5]nonaneDB-003315CS-0000804EN300-333363
데이터베이스 식별자
- CAS
1046153-20-1- PubChem CID
- 51341945
- DTXSID
DTXSID40679855- EC Number
- 664-437-4
- Nikkaji
- J2.972.593D
물성
구조 계산 물성
- XLogP
- 0
- 극성 표면적
- 21.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 109
물리화학적 성질
- 녹는점
- 131 · 131-136°C
- 끓는 점
- 208 ℃ · 208℃
- 밀도
- 1.04 · 1.04
- 인화점
- 74 ℃ · 74℃
- 저장 조건
- 2 · 2-8°C(protect from light)
- 산도 계수 (pKa)
- 10.73 · 10.73±0.20(Predicted)
- 물리적 상태
- 액체
- 색상
- 무색
- InChI
- 1S/C7H13NO.C2H2O4/c1-2-7(4-8-3-1)5-9-6-7;3-1(4)2(5)6/h8H,1-6H2;(H,3,4)(H,5,6)
- InChIKey
- SDESQEIYRGXXPA-UHFFFAOYSA-N
- SMILES
- OC(=O)C(O)=O.C1CNCC2(C1)COC2
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 97.4% (38 of 39) of all reports.
Not Classified；Reported as not meeting GHS hazard criteria by 38 of 39 companies (only 2.6% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 38 of 39 reports by companies.；There is 1 notification provided by 1 of 39 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Hazard Classes and CategoriesNot Classified
안전 데이터
- wgk
- 3
- HS 번호
- 2933998090
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도2-Oxa-6-azaspiro[3.5]nonane is a spirocyclic compound containing oxygen and nitrogen atoms. As an important building block for drug synthesis and a pharmaceutical intermediate, it is mainly used for the construction of molecular skeletons in new drug development and is widely used in the fields of pharmaceutical and chemical research.
공급사58 곳
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
奥夫仑医药（四川）有限公司17336178085 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
上海爱孜康医药研究有限公司18721109360 · [email protected]
杭州鼎燕化工有限公司13588754826 13588754826 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京炎礼生物科技有限公司18600731423 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
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