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CAS 119171-18-5 1-Methyl-3-propylimidazolium Iodide molecular structure lightbox
CAS RN: 119171-18-5

1-Methyl-3-propylimidazolium Iodide

Product Availability

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260512 100g In stock Inquiry
Batchno.20250911 25g In stock Inquiry
Batchno.20250729 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250517 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing Inquiry
  • Product code: SSC-019645
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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, 100g
  • 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 119171-18-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Hong Kong Inquiry
100g ＞97% 0 Out of Stock Shenzhen Inquiry

119171-18-5 / 1-methyl-3-propylimidazol-1-ium iodide

1-Methyl-3-propylimidazolium iodide | DTXSID3049207 | DTXCID9029063

Standard CAS: 119171-18-5 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
119171-18-5
Multi CAS
Yes
Molecular Formula
C7H13IN2
Molecular Weight
252.100000
Exact Mass
252.012350
SMILES
CCCN1C=C[N+](=C1)C.[I-]
InChI
InChI=1S/C7H13N2.HI/c1-3-4-9-6-5-8(2)7-9;/h5-7H,3-4H2,1-2H3;1H/q+1;/p-1
InChIKey
IVCMUVGRRDWTDK-UHFFFAOYSA-M
Synonyms
1-Methyl-3-propylimidazolium iodide DTXSID3049207 DTXCID9029063 RefChem:76286 601-586-6

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.57
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
35.9
TPSA
8.81

LogP / Solubility

WLOGP
-2.27
MLOGP
-1.99
XLogP3
-2.27
Consensus LogP
-2.18
Log S (ESOL)
-0.21
Class (ESOL)
Very soluble
Log S (Ali)
0.01
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.35
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)
-5.87

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (93.3%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (93.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (53.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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