CAS RN: 2439-55-6
N-Methyloctadecylamine
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-118745
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: 5g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
2439-55-6 / N-methyloctadecan-1-amine
Basic Information
CAS
2439-55-6
Multi CAS
No
Molecular Formula
C19H41N
Molecular Weight
283.500000
Exact Mass
283.323900
SMILES
CCCCCCCCCCCCCCCCCCNC
InChI
InChI=1S/C19H41N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-2/h20H,3-19H2,1-2H3
InChIKey
SZEGKVHRCLBFKJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
1
Rotatable bonds
17
H-bond acceptors
1
H-bond donors
1
Molar refractivity
93.47
TPSA
12.03
LogP / Solubility
WLOGP
6.47
MLOGP
5.7
XLogP3
8.6
Consensus LogP
6.92
Log S (ESOL)
-4.55
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.55
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.91
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
0.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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Didecylmethylamine
- CAS RN: 7396-58-9
- Product Code: ICTD2311
- Purity/Analytical method: >95.0%(GC)
