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CAS 10135-38-3 3,3,5,5-Tetramethyl-1-pyrroline N-Oxide molecular structure lightbox
CAS RN: 10135-38-3

3,3,5,5-Tetramethyl-1-pyrroline N-Oxide

  • Product code: SSC-002199
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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: 95%+
  • 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 10135-38-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g 95%+ 0 Out of Stock Beijing Inquiry

10135-38-3 / 2,2,4,4-tetramethyl-1-oxido-3H-pyrrol-1-ium

3,3,5,5-Tetramethyl-1-pyrroline N-oxide | 2H-Pyrrole, 3,4-dihydro-2,2,4,4-tetramethyl-, 1-oxide | NSC-78027

Standard CAS: 10135-38-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10135-38-3
Multi CAS
No
Molecular Formula
C8H15NO
Molecular Weight
141.210000
Exact Mass
141.115364
SMILES
CC1(CC([N+](=C1)[O-])(C)C)C
InChI
InChI=1S/C8H15NO/c1-7(2)5-8(3,4)9(10)6-7/h6H,5H2,1-4H3
InChIKey
GUQARRULARNYQZ-UHFFFAOYSA-N
Synonyms
3,3,5,5-Tetramethyl-1-pyrroline N-oxide 2H-Pyrrole, 3,4-dihydro-2,2,4,4-tetramethyl-, 1-oxide NSC-78027 3,3,5,5-Tetramethylpyrroline-1-oxide TNE5L8R4J6

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.88
H-bond acceptors
1
Molar refractivity
42.17
TPSA
26.07

LogP / Solubility

WLOGP
1.78
MLOGP
1.56
XLogP3
0.7
Consensus LogP
1.35
Log S (ESOL)
-1.83
Class (ESOL)
Soluble
Log S (Ali)
-2
Class (Ali)
Moderately 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)
-2.32

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
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]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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