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CAS 218151-78-1 1,2-Dimethyl-3-propylimidazolium Iodide molecular structure lightbox
CAS RN: 218151-78-1

1,2-Dimethyl-3-propylimidazolium Iodide

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260414 100g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251114 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250803 25g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20260611 500g In stock Shanghai Inquiry
Batchno.20251130 5g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
  • Product code: SSC-105196
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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: 25g
  • Available purity: ≥97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 218151-78-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Beijing Inquiry

218151-78-1 / 1,2-dimethyl-3-propylimidazol-1-ium iodide

Standard CAS: 218151-78-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
218151-78-1
Multi CAS
No
Molecular Formula
C8H15IN2
Molecular Weight
266.120000
Exact Mass
266.028000
SMILES
CCCN1C=C[N+](=C1C)C.[I-]
InChI
InChI=1S/C8H15N2.HI/c1-4-5-10-7-6-9(3)8(10)2;/h6-7H,4-5H2,1-3H3;1H/q+1;/p-1
InChIKey
ISHFYECQSXFODS-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.62
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
40.64
TPSA
8.81

LogP / Solubility

WLOGP
-1.96
MLOGP
-1.72
XLogP3
-1.96
Consensus LogP
-1.88
Log S (ESOL)
-0.46
Class (ESOL)
Very soluble
Log S (Ali)
-0.32
Class (Ali)
Very soluble
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)
-5.74

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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