CAS RN: 120317-69-3
1,4-Dimethyl-1,2,4-triazolium Iodide
Product Availability
Choose a grade to view its available package options.
8 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260318 | 100mg | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20250522 | 1g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
| Batchno.20260205 | 250mg | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20250510 | 25g | In stock | Shenzhen | Inquiry |
| Batchno.20260113 | 5g | In stock | Shenzhen | Inquiry |
- Product code: SSC-021179
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
120317-69-3 / 1,4-dimethyl-1,2,4-triazol-4-ium iodide
1,4-Dimethyl-1,2,4-triazolium Iodide | DTXSID40450929 | RefChem:220642
Basic Information
CAS
120317-69-3
Multi CAS
Yes
Molecular Formula
C4H8IN3
Molecular Weight
225.030000
Exact Mass
224.976290
SMILES
CN1C=[N+](C=N1)C.[I-]
InChI
InChI=1S/C4H8N3.HI/c1-6-3-5-7(2)4-6;/h3-4H,1-2H3;1H/q+1;/p-1
InChIKey
IMFBMMNQDMTHGG-UHFFFAOYSA-M
Synonyms
1,4-Dimethyl-1,2,4-triazolium Iodide
DTXSID40450929
RefChem:220642
DTXCID90401749
631-394-8
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.5
H-bond acceptors
2
Molar refractivity
24.38
TPSA
21.7
LogP / Solubility
WLOGP
-3.75
MLOGP
-3.3
XLogP3
-3.75
Consensus LogP
-3.6
Log S (ESOL)
0.67
Class (ESOL)
Highly soluble
Log S (Ali)
1.3
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.99
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P354+P338, and P317
Customers Also Viewed
-
1,3-Diisopropylimidazolinium Tetrafluoroborate
- CAS RN: 137581-18-1
- Product Code: SSC-047309
-
1,3-Di(1-adamantyl)imidazolinium Tetrafluoroborate
- CAS RN: 1176202-63-3
- Product Code: ICTD3620
- Purity/Analytical method: >98.0%(HPLC)
-
-
2-(2,6-Diisopropylphenyl)-3,3-dimethyl-2-azaspiro[4.5]dec-1-en-2-ium Hydrogen Dichloride
- CAS RN: 1141464-90-5
- Product Code: SSC-014015
-
1,3-Dicyclohexylimidazolium Tetrafluoroborate
- CAS RN: 286014-38-8
- Product Code: SSC-130071
-
1,3-Diisopropylimidazolium Hydrogencarbonate (contains varying amounts of 1,3-Diisopropylimidazolium-2-carboxylate)
- CAS RN: 1372124-90-7
- Product Code: ICTD5498
![CAS 1141464-90-5 2-(2,6-Diisopropylphenyl)-3,3-dimethyl-2-azaspiro[4.5]dec-1-en-2-ium Hydrogen Dichloride molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d5596-jpgcontextbwfzdgvyfhjvb3r8nda0odz8aw1hz2uvanblz3xomwqvadqwlzg5mza0nduznjexodivrdu1otyuanbnfgizmjyyzdq4nte5ntzknwqzodi2yjm3nwrkmwu3mdexzddmmdvjyjy1oduxnzlmyje5ntm0zti3nty1zjc0mme.jpeg)
