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CAS 46061-25-0 4-tert-butylnitrosopiperidine molecular structure lightbox
CAS RN: 46061-25-0

4-tert-butylnitrosopiperidine

  • Product code: SSC-153627
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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 46061-25-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

46061-25-0 / 4-tert-butyl-1-nitrosopiperidine

Standard CAS: 46061-25-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
46061-25-0
Multi CAS
No
Molecular Formula
C9H18N2O
Molecular Weight
170.250000
Exact Mass
170.141913
InChI
InChI=1S/C9H18N2O/c1-9(2,3)8-4-6-11(10-12)7-5-8/h8H,4-7H2,1-3H3
InChIKey
XVZWACWGVWVKEW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
49.55
TPSA
32.67

LogP / Solubility

WLOGP
2.43
MLOGP
2.13
XLogP3
2.5
Consensus LogP
2.35
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.9
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)
-2.04

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

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