![CAS 280-57-9 1,4-Diazabicyclo[2.2.2]octane molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d0134-jpgcontextbwfzdgvyfhjvb3r8mzu3oth8aw1hz2uvanblz3xoztgvadbhlzg5mjk3mjy0oty3otgvrdaxmzquanbnfddlmdjlmdfhm2ywognkn2fjnguwn2qyodmzmzhinmnindc4mzqxngzmytrjyjhjzwq2ntdindaymzdjoddmmdg.jpeg)
CAS RN: 280-57-9
1,4-Diazabicyclo[2.2.2]octane
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251010 | 50g / 100g / 250g / 1kg / 5kg | Confirm by inquiry | Shanghai, Shandong, Guangdong, Chongqing, Hebei | Inquiry |
- Product code: SSC-128546
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 5g, 25g, 100g, 500g, 1000g
- Available purity: >98%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | >98% | 5 In Stock | Hong Kong | Inquiry |
| 25g | >98% | 5 In Stock | Shenzhen | Inquiry |
| 100g | >98% | 5 In Stock | Hong Kong | Inquiry |
| 500g | >98% | 5 In Stock | Shenzhen | Inquiry |
| 1000g | >98% | 5 In Stock | Shenzhen | Inquiry |
280-57-9 / 1,4-diazabicyclo[2.2.2]octane
Basic Information
CAS
280-57-9
Multi CAS
No
Molecular Formula
C6H12N2
Molecular Weight
112.170000
Exact Mass
112.100048
SMILES
C1CN2CCN1CC2
InChI
InChI=1S/C6H12N2/c1-2-8-5-3-7(1)4-6-8/h1-6H2
InChIKey
IMNIMPAHZVJRPE-UHFFFAOYSA-N
Physical Properties
Melting Point
158 °C
Boiling Point
174 °C
Density
1.14 at 28 °C (Water = 1)[NITE; Chemical Risk Information Platform (CHRIP). Biodegradation and Bioconcentration. Ver 2006.01.30 Updated. National Institute of Technology and Evaluation. Tokyo, Japan. Thiodiethylene glycolBicyclo
Physical Description
Pellets or Large Crystals; Liquid; Other Solid
White crystals with an ammonia-like odour; Sublimes (goes directly from solid to vapour) readily at room temperature; Extremely hygroscopic (absorbs moisture from the air); [CHEMINFO]
Appearance
Colorless hygroscopic crystals
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
1
H-bond acceptors
2
Molar refractivity
32.88
TPSA
6.48
LogP / Solubility
WLOGP
-0.38
MLOGP
-0.35
XLogP3
-0.2
Consensus LogP
-0.31
Log S (ESOL)
-0.29
Class (ESOL)
Very soluble
Log S (Ali)
-0.2
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.07
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
Applications of CAS 280-57-9
This compound is commonly used in catalysis and inorganic chemistry research, pharmaceutical research and drug discovery, life science and biochemical research, materials science and advanced materials development, metal and coordination compound chemistry, organic synthesis and chemical building blocks, laboratory reagent and synthesis applications, general chemistry research and laboratory applications. Starshine Chemical supplies CAS 280-57-9 for R&D and pilot-scale use, with flexible pack sizes and purity grades available.
Physical & Chemical Properties
| IUPAC Name | 1,4-diazabicyclo[2.2.2]octane |
Safety Information (GHS)
Pictogram(s): GHS02, GHS05, GHS07, GHS08. Signal word: Danger.
- H228 (82.6%): Flammable solid [Danger Flammable solids]
- H302 (96.5%): Harmful if swallowed [Warning Acute toxicity, oral]
- H315 (97.3%): Causes skin irritation [Warning Skin corrosion/irritation]
- H318 (50.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
- H319 (44.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
- H335 (16.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
- H412 (14.5%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
- H302: Harmful if swallowed [Warning Acute toxicity, oral]
- H315: Causes skin irritation [Warning Skin corrosion/irritation]
- H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation]
- H361: Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
- H371: May cause damage to organs [Warning Specific target organ toxicity, single exposure]
Precautionary statements: P210, P240, P241, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)
Request the SDS (Safety Data Sheet) for full hazard and safety documentation.
Storage & Handling
Storage: Store under inert gas. Avoid: Hygroscopic. For detailed hazard, storage and transport information, request the SDS (Safety Data Sheet) with your inquiry.
Quotation & Packaging
Prices are confirmed by inquiry. Request a quote for current pricing, minimum order quantity (MOQ) and lead time. The pack sizes listed on this page are reference options; custom pack sizes and bulk quantities are available on request.
Quality & Compliance
Specifications and purity shown on this page are based on batch records. A Certificate of Analysis (COA) is available on request. For research and further manufacturing use only — not for direct human or therapeutic use.
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