CAS RN: 1116-76-3
Tri-n-octylamine
Product Availability
Choose a grade to view its available package options.
8 package records8 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251014 | 100g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250913 | 1kg | In stock | Shanghai, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250602 | 25g | In stock | Shanghai, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250517 | 500g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
- Product code: SSC-012225
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, 100ml, 500ml
- Available purity: ≥97%
- 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.
1116-76-3 / N,N-dioctyloctan-1-amine
Trioctylamine | TRI-N-OCTYLAMINE | Tricaprylamine
Basic Information
CAS
1116-76-3
Multi CAS
Yes
Molecular Formula
C24H51N
Molecular Weight
353.700000
Exact Mass
353.402151
SMILES
CCCCCCCCN(CCCCCCCC)CCCCCCCC
InChI
InChI=1S/C24H51N/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h4-24H2,1-3H3
InChIKey
XTAZYLNFDRKIHJ-UHFFFAOYSA-N
Synonyms
Trioctylamine
TRI-N-OCTYLAMINE
Tricaprylamine
Tricaprylylamine
Tri-n-caprylylamine
Physical Properties
Melting Point
-34.6 °C
Physical Description
Liquid
Colorless liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
25
Fraction Csp3
1
Rotatable bonds
21
H-bond acceptors
1
Molar refractivity
116.57
TPSA
3.24
LogP / Solubility
WLOGP
8.37
MLOGP
7.38
XLogP3
10.5
Consensus LogP
8.75
Log S (ESOL)
-5.92
Class (ESOL)
Slightly soluble
Log S (Ali)
-8.5
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.43
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
Yes
Log Kp (skin permeation)
1.07
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
Safety & Transport
Pictogram(s)
Irritant
Health Hazard
Environmental Hazard
Signal
Danger
Warning
GHS Hazard Statements
H315 (99.6%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (99.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (21.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
H360 (39.1%): May damage fertility or the unborn child [Danger Reproductive toxicity]
H372 (39.5%): Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]
Precautionary Statement Codes
P203, P260, P261, P264, P264+P265, P270, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501
P273, P391, and P501
P203, P260, P264, P264+P265, P280, P302+P352, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P405, and P501
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