CAS RN: 88-05-1
2,4,6-Trimethylaniline
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250312 | 100g | In stock | Shanghai | Inquiry |
| Batchno.20250930 | 1kg | In stock | Shanghai, Chengdu | Inquiry |
| Batchno.20251229 | 25g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250207 | 500g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250927 | 5g | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry |
- Product code: SSC-198393
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 100g, 500g
- Available purity: >98%
- Inventory rows with stock: 2
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
88-05-1 / 2,4,6-trimethylaniline
Basic Information
CAS
88-05-1
Multi CAS
Yes
Molecular Formula
C9H13N
Molecular Weight
135.210000
Exact Mass
135.104799
InChI
InChI=1S/C9H13N/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,10H2,1-3H3
InChIKey
KWVPRPSXBZNOHS-UHFFFAOYSA-N
Physical Properties
Melting Point
23 °F (EPA, 1998)
-5 °C
Boiling Point
450 to 451 °F at 760 mmHg (EPA, 1998)
232-234 °C
Density
0.9633 (EPA, 1998) - Less dense than water; will float
0.96 kg/l
Physical Description
Aniline, 2,4,6-trimethyl- appears as a liquid. (EPA, 1998)
Liquid; [HSDB] Rose colored liquid
Appearance
Liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
1
H-bond donors
1
Molar refractivity
45.07
TPSA
26.02
LogP / Solubility
WLOGP
2.19
MLOGP
1.92
XLogP3
2.3
Consensus LogP
2.14
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.36
Class (SILICOS-IT)
Moderately 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)
-1.99
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
