Basic information
- CAS
38284-47-8- Standard SMILES
CC1(C)C2CCC(CCOCCN3CCOCC3)C1C2- InChIKey
FPLHEALBGYMFJM-UHFFFAOYSA-N- Molecular formula
- C17H31NO2
- Average molar mass
- 281.4 g/mol
- Monoisotopic mass
- 281.23547923
Names & identifiers
- Preferred name
- 4-(2-(2-(6,6-Dimethylbicyclo(3.1.1)hept-2-yl)ethoxy)ethyl)morpholine
- IUPAC
- 4-[2-[2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethoxy]ethyl]morpholine
- English name
- (1S,2S,5S)-4-[2-[2-(6,6-DiMethylbicyclo[3.1.1]hept-2-yl)ethoxy]ethyl]Morpholine
- Molecular formula
- C17H31NO2
- Molecular weight
- 281.43
Names & synonyms
4-[2-[2-(6,6-Dimethylbicyclo[3.1.1]hept-2-yl)ethoxy]ethyl]morpholine4-(2-(2-(6,6-Dimethylbicyclo(3.1.1)hept-2-yl)ethoxy)ethyl)morpholineRefChem:51155838284-47-84-(2-(2-(6,6-Dimethylbicyclo[3.1.1]heptan-2-yl)ethoxy)ethyl)morpholine(1S,2S,5S)-4-[2-[2-(6,6-Dimethylbicyclo[3.1.1]hept-2-yl)ethoxy]ethyl]morpholinePinaverium Bromide Impurity 8Pinaverium Impurity 284-[2-(2-{6,6-dimethylbicyclo[3.1.1]heptan-2-yl}ethoxy)ethyl]morpholine4-[2-[2-(6,6-Dimethyl-2-bicyclo[3.1.1]heptanyl)ethoxy]ethyl]morpholineMFCD299196244-[2-[2-(6,6-dimethylnorpinan-2-yl)ethoxy]ethyl]morpholine
Show more names
5S)-4-[2-[2-(6Pinaverium ImpurityPivalomycin impurityPinaverium Impurity 1Piverium bromide impurity 9Pividium bromide impurity 1Pinaverium Bromide Impurity 9Pinaverium Bromide Impurity 19 (Mixture of Diastereomers)6-DiMethylbicyclo[3.1.1]hept-2-yl)ethoxy]ethyl]Morpholine
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 21.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 312
Physicochemical properties
- Boiling point
- 356.2 · 356.2±22.0 °C(Predicted)
- Density
- 0.986 · 0.986±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly)
- form
- Oil
- pka
- 6 · 6+-.0.10(Predicted)
- color
- Yellow to Orange
- REACH Registrations
- Active
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.
Not Classified
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationREACH registered substance: 2-((6,6-diméthylbicyclo[3.1.1]hept-2-yl)éthoxy)éthyl morpholine (EC: 609-541-2)
Hazard Classes and CategoriesNot Classified
Safety data
- REACH Registrations
- Active
Chemistry & industry
Applications
Uses(1S,2S,5S)-4-[2-[2-(6,6-Dimethylbicyclo[3.1.1]hept-2-yl)ethoxy]ethyl]morpholine, is used for the synthesis of Pinaverium Bromide (P465000), a drug used for functional gastrointestinal disorders.
Upstream & downstream products
Downstream products
Suppliers42 total
天津始加生物医药科技有限公司15022261580 · [email protected]
上海策嵘生物科技有限公司[email protected]
武汉卓元易创科技有限公司13476791851 13476791851 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
上海微佳禾生物科技有限公司17502176150; 17502176150 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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