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CAS 18390-00-6 PTIO (=2-Phenyl-4,4,5,5-tetramethylimidazoline-3-oxide-1-oxyl) [Stable free radical reagent for the simultaneous determination of NO and NO2 in the atmosphere] molecular structure lightbox
CAS RN: 18390-00-6

PTIO (=2-Phenyl-4,4,5,5-tetramethylimidazoline-3-oxide-1-oxyl) [Stable free radical reagent for the simultaneous determination of NO and NO2 in the atmosphere]

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260329 1g In stock Chongqing Inquiry
Batchno.20260430 250mg In stock Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
Batchno.20250604 50mg In stock Shanghai, Guangdong Inquiry
Batchno.20251212 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-085062
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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: 1g
  • Available purity: 98.0%
  • 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 18390-00-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g 98.0% 0 Out of Stock Beijing Inquiry

18390-00-6 / PTIO (=2-Phenyl-4,4,5,5-tetramethylimidazoline-3-oxide-1-oxyl) [Stable free radical reagent for the simultaneous determination of NO and NO2 in the atmosphere]

Standard CAS: 18390-00-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
18390-00-6
Multi CAS
No
Molecular Formula
C13H17N2O2
Molecular Weight
233.290000
Exact Mass
233.129003
SMILES
CC1(C([N+](=C(N1[O])C2=CC=CC=C2)[O-])(C)C)C
InChI
InChI=1S/C13H17N2O2/c1-12(2)13(3,4)15(17)11(14(12)16)10-8-6-5-7-9-10/h5-9H,1-4H3
InChIKey
DYUUGILMVYJEHY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
64.86
TPSA
49.21

LogP / Solubility

WLOGP
2.16
MLOGP
1.91
XLogP3
1.2
Consensus LogP
1.76
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.09
Class (SILICOS-IT)
Poorly 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)
-2.61

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 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): 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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