![CAS 2411-36-1 Triheptylamine [Reagent for Ion-Pair Chromatography] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/i0361-jpgcontextbwfzdgvyfhjvb3r8mza0mzb8aw1hz2uvanblz3xonjavagywlzg5mzewnje4ntgzmzqvstaznjeuanbnfgjhytm4ogvjmdrjmgm2mjhjmjq5mwvmytjjmzzhogvlmziwowu1y2mxn2njymi0ymnjmwjimjc0mgqxntrmztc.jpeg)
CAS RN: 2411-36-1
Triheptylamine [Reagent for Ion-Pair Chromatography]
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250616 | 5ml / 25ml / 100ml | Confirm by inquiry | Shanghai, Shandong | 5-7 business days | Inquiry |
- Product code: SSC-117491
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: 25ml
- 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 |
|---|---|---|---|---|
| 25ml | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
2411-36-1 / N,N-diheptylheptan-1-amine
Basic Information
CAS
2411-36-1
Multi CAS
No
Molecular Formula
C21H45N
Molecular Weight
311.600000
Exact Mass
311.355200
SMILES
CCCCCCCN(CCCCCCC)CCCCCCC
InChI
InChI=1S/C21H45N/c1-4-7-10-13-16-19-22(20-17-14-11-8-5-2)21-18-15-12-9-6-3/h4-21H2,1-3H3
InChIKey
CLZGJKHEVKJLLS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Fraction Csp3
1
Rotatable bonds
18
H-bond acceptors
1
Molar refractivity
102.72
TPSA
3.24
LogP / Solubility
WLOGP
7.2
MLOGP
6.35
XLogP3
8.9
Consensus LogP
7.48
Log S (ESOL)
-5.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.31
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.82
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
0.49
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
2.5
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