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CAS 178631-05-5 1-Hexyl-3-methylimidazolium Iodide molecular structure lightbox
CAS RN: 178631-05-5

1-Hexyl-3-methylimidazolium Iodide

Product Availability

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7 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260424 100g In stock Inquiry
Batchno.20250915 25g In stock Inquiry
Batchno.20260222 50g In stock Inquiry
Batchno.20260621 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250201 100g Out of stock Inquiry
Batchno.20260220 25g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250529 5g In stock Shanghai, Shenzhen, Wuhan Inquiry
  • Product code: SSC-079502
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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 178631-05-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Shenzhen Inquiry

178631-05-5 / 1-hexyl-3-methylimidazol-3-ium iodide

Standard CAS: 178631-05-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
178631-05-5
Multi CAS
No
Molecular Formula
C10H19IN2
Molecular Weight
294.180000
Exact Mass
294.059300
SMILES
CCCCCCN1C=C[N+](=C1)C.[I-]
InChI
InChI=1S/C10H19N2.HI/c1-3-4-5-6-7-12-9-8-11(2)10-12;/h8-10H,3-7H2,1-2H3;1H/q+1;/p-1
InChIKey
CZIUVCSYOGFUPH-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.7
Rotatable bonds
5
H-bond acceptors
1
Molar refractivity
49.75
TPSA
8.81

LogP / Solubility

WLOGP
-1.1
MLOGP
-0.96
XLogP3
-1.1
Consensus LogP
-1.05
Log S (ESOL)
-0.92
Class (ESOL)
Very soluble
Log S (Ali)
-1.18
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.26
Class (SILICOS-IT)
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)
-5.3

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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