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CAS 60734-63-6 n-Octylammonium Iodide molecular structure lightbox
CAS RN: 60734-63-6

n-Octylammonium Iodide

  • Product code: SSC-169376
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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 60734-63-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

60734-63-6 / octylazanium iodide

Standard CAS: 60734-63-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
60734-63-6
Multi CAS
Yes
Molecular Formula
C8H20In
Molecular Weight
257.160000
Exact Mass
257.064050
InChI
InChI=1S/C8H19N.HI/c1-2-3-4-5-6-7-8-9;/h2-9H2,1H3;1H
InChIKey
HBZSVMFYMAOGRS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
41.13
TPSA
27.64

LogP / Solubility

WLOGP
-1.41
MLOGP
-1.23
XLogP3
-1.41
Consensus LogP
-1.35
Log S (ESOL)
-0.15
Class (ESOL)
Very soluble
Log S (Ali)
-0.65
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.88
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)
-5.29

Drug-likeness / Medicinal Chemistry

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

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