2,6-Dimethylmorpholine, cis- (HCID 641500)

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)-2098200-15-6Cic-2,6-DimethylmorpholineUNII-VWD860P007(2R,6S)-rel-2,6-Dimethylmorpholine; (2R,6S)-2,6-Dimethylmorpholine; (2R,6S)-2,6-Dimethylmorpholine; 2,6-cis-Dimethylmorpholine; cis-(2R,6S)-2,6-Dimethylmorpholine; cis-2,6-Dimethylmorpholine

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 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 66

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|
LogP: -0.15 at · -0.15 at 25℃

화학적 성질

clear colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 6건

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]；H302 (94.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (97.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (94.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (97.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

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.；Reported as not meeting GHS hazard criteria per 1 of 174 reports by companies.；There are 12 notifications provided by 173 of 174 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

Regulatory InformationStatus: Active Update: 28-09-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/12344

Hazard Classes and CategoriesFlam. Liq. 3 (98.9%)；Acute Tox. 4 (94.3%)；Acute Tox. 4 (97.7%)；Skin Corr. 1B (94.8%)；Eye Dam. 1 (97.1%)

규제 정보

Regulatory InformationStatus: Active Update: 28-09-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/12344

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 · 2건

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].