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CAS 171058-17-6 1-Hexyl-3-methylimidazolium Chloride molecular structure lightbox
CAS RN: 171058-17-6

1-Hexyl-3-methylimidazolium Chloride

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251028 5g / 25g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Shandong, Chongqing, Hebei, Guangdong Inquiry
  • Product code: SSC-075356
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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: 5g, 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 171058-17-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 0 Out of Stock Beijing Inquiry
25g >97% 0 Out of Stock Hong Kong Inquiry
100g >97% 0 Out of Stock Hong Kong Inquiry

171058-17-6 / 1-hexyl-3-methylimidazol-3-ium chloride

Standard CAS: 171058-17-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
171058-17-6
Multi CAS
No
Molecular Formula
C10H19ClN2
Molecular Weight
202.720000
Exact Mass
202.123676
SMILES
CCCCCCN1C=C[N+](=C1)C.[Cl-]
InChI
InChI=1S/C10H19N2.ClH/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
NKRASMXHSQKLHA-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
-0.97
XLogP3
-1.1
Consensus LogP
-1.06
Log S (ESOL)
-0.36
Class (ESOL)
Very soluble
Log S (Ali)
-0.43
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.66
Class (SILICOS-IT)
Very 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)
-4.74

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (75%): 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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