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CAS 2439-54-5 N-Methyl-n-octylamine molecular structure lightbox
CAS RN: 2439-54-5

N-Methyl-n-octylamine

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251204 100g In stock Shanghai Inquiry
Batchno.20250513 25g In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20250801 5g In stock Guangdong Inquiry
  • Product code: SSC-118744
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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: 25g
  • Available purity: ≥98%
  • 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 2439-54-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 0 Out of Stock Shanghai Inquiry

2439-54-5 / N-methyloctan-1-amine

Standard CAS: 2439-54-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2439-54-5
Multi CAS
No
Molecular Formula
C9H21N
Molecular Weight
143.270000
Exact Mass
143.167400
SMILES
CCCCCCCCNC
InChI
InChI=1S/C9H21N/c1-3-4-5-6-7-8-9-10-2/h10H,3-9H2,1-2H3
InChIKey
SEGJNMCIMOLEDM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
7
H-bond acceptors
1
H-bond donors
1
Molar refractivity
47.3
TPSA
12.03

LogP / Solubility

WLOGP
2.57
MLOGP
2.25
XLogP3
3.7
Consensus LogP
2.84
Log S (ESOL)
-1.88
Class (ESOL)
Soluble
Log S (Ali)
-2.59
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.56
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)
-1.77

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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