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CAS 179075-88-8 1-BUTYL-3-METHYLIMIDAZOLIUM NITRATE molecular structure lightbox
CAS RN: 179075-88-8

1-BUTYL-3-METHYLIMIDAZOLIUM NITRATE

Product Availability

Choose a grade to view its available package options.

4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260419 100g In stock Hebei Inquiry
Batchno.20251010 25g In stock Shanghai, Shandong Inquiry
Batchno.20251031 500g Out of stock 5-7 business days Inquiry
Batchno.20250531 5g In stock Shanghai, Shandong, Guangdong Inquiry
  • Product code: SSC-079790
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 10g, 5g, 25g, 100g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 179075-88-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Hong Kong Inquiry
10g >95% 4 In Stock Beijing Inquiry
5g >95% 3 In Stock Beijing Inquiry
25g >95% 1 In Stock Shenzhen Inquiry
100g >95% 0 Out of Stock Shanghai Inquiry

179075-88-8 / 1-butyl-3-methylimidazol-3-ium nitrate

Standard CAS: 179075-88-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
179075-88-8
Multi CAS
No
Molecular Formula
C8H15N3O3
Molecular Weight
201.220000
Exact Mass
201.111341
SMILES
CCCCN1C=C[N+](=C1)C.[N+](=O)([O-])[O-]
InChI
InChI=1S/C8H15N2.NO3/c1-3-4-5-10-7-6-9(2)8-10;2-1(3)4/h6-8H,3-5H2,1-2H3;/q+1;-1
InChIKey
WPHIMOZSRUCGGU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.62
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
50.88
TPSA
75.01

LogP / Solubility

WLOGP
0.87
MLOGP
0.77
XLogP3
0.87
Consensus LogP
0.84
Log S (ESOL)
-1.7
Class (ESOL)
Soluble
Log S (Ali)
-1.84
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.05
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.33

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)
Oxidizer Irritant
Signal
Danger
GHS Hazard Statements
H272 (100%): May intensify fire; oxidizer [Danger Oxidizing liquids; Oxidizing solids] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P210, P220, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501

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