시스-2,6-디메틸모르폴린
2,6-Dimethylmorpholine, cis-
기본 정보
- CAS
6485-55-8- 표준 SMILES
C[C@@H]1CNC[C@H](C)O1- InChIKey
HNVIQLPOGUDBSU-OLQVQODUSA-N- 분자식
- C6H13NO
- 평균 분자량
- 115.17 g/mol
- 단동위원소 질량
- 115.09971404
이름 및 식별자
- 우선 이름
- 2,6-Dimethylmorpholine, cis-
- IUPAC
- (2S,6R)-2,6-dimethylmorpholine
- 현지명
- 시스-2,6-디메틸모르폴린
- 영어명
- cis-2,6-Dimethylmorpholine
- 분자식
- C6H13NO
- 분자량
- 115.17
이름 및 동의어
cis-2,6-Dimethylmorpholine6485-55-82,6-Dimethylmorpholine, cis-Morpholine, 2,6-dimethyl-, cis-2,6-cis-dimethylmorpholineMORPHOLINE, 2,6-DIMETHYL-, (2R,6S)-REL-VWD860P007EINECS 229-353-0EC 229-353-02,6-DIMETHYLMORPHOLINE, MESO-RefChem:445725229-353-0
이름 더 보기
시스-2,6-디메틸모르폴린시스-2,6-다이메틸모포린Cis-2,6-MethylmorpolineP-methoxy-alpha-BromoacetophenoneCdmm750 graMs6-DiMethylMorpholinecis-2,6-Dimethylmorphinecis-2,6-Dimethylmorpholincis-2,6-Dimethylmorpoline
(2R,6S)-2,6-dimethylmorpholine(2S,6R)-2,6-dimethylmorpholineMFCD00078428morpholine, 2,6-dimethyl-, (2R,6S)-2098200-15-62773424-97-6Cic-2,6-DimethylmorpholineUNII-VWD860P007
데이터베이스 식별자
- CAS
6485-55-8- PubChem CID
- 641500
- DTXSID
DTXSID00896844- UNII
- VWD860P007
- EC Number
- 229-353-0
- Nikkaji
- J225.149C
물성
구조 계산 물성
- XLogP
- 0.3
- 극성 표면적
- 21.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 66.9
실험 및 물리화학적 성질
PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
물리화학적 성질
- 녹는점
- -85 °C · -85 °C
- 끓는 점
- 140 · 140-142 °C
- 밀도
- 0.93 · 0.93
- 증기압
- 3.38 · 3.38-5.4hPa at 15.1-21.9℃
- 굴절률
- 1.445 · 1.445-1.447
- 인화점
- 41 °C · 41 °C
- 저장 조건
- Keep in dark place,Inert atmosphere,Room temperature
- 용해도
- Chloroform (Sparingly), Dichloromethane (Sparingly), Methanol (Slightly)
- 물리적 상태
- 액체
- 산도 계수 (pKa)
- 9.04 · 9.04±0.60(Predicted)
- 색상
- 무색의
- BRN
- 878182 · 878182
- InChI
- InChI=1/C6H13NO/c1-5-3-7-4-6(2)8-5/h5-7H,3-4H2,1-2H3/t5-,6+
- InChIKey
- HNVIQLPOGUDBSU-OLQVQODUNA-N
- SMILES
- N1C[C@H](C)O[C@H](C)C1 |&1:2,5,r|
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 0.6% (1 of 174) of reports.
Danger
H226 (98.9%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 174 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationREACH registered substance: cis-2,6-dimethylmorpholine (EC: 229-353-0)
Hazard Classes and CategoriesFlam. Liq. 3 (98.9%)
안전 데이터
- rtecs
- QE1750000
- ridadr
- 1993
- HS 번호
- 29339900
- risk_code
- 34-21/22-10-41-37/38-22
- hazard_code
- C,Xn
- safety_code
- 45-36/37/39-26-23-39
- 포장분류
- III
- 위험 등급
- 3
화학 및 산업
용도 및 제조
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
응용 분야
용도Cis-2,6-Dimethylmorpholine is used in the synthesis of p38α MAP kinase inhibitors used in the treatment of autoimmune diseases. Also used towards the synthesis of potent agonists and antagonists of 5-HT 4 receptors.
일반 설명The cis-2,6-dimethylmorpholine isomer exhibits superior fungicidal activity against a broad range of fungi compared to its trans-isomer[1][2]. This compound serves as a precursor in the synthesis of pyrazolopyrimidine mTOR inhibitors, where it replaces morpholine to yield specific derivative structures[2][3].
관련 반응
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