![CAS 91-67-8 N,N-Diethyl-m-toluidine [for Biochemical Research] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d3868-jpgcontextbwfzdgvyfhjvb3r8ndy2ntr8aw1hz2uvanblz3xozgmvadnilzg5mzaymjy0mdu0mdyvrdm4njguanbnfdy0zguxzte0mjcyy2e5njiyownkywi2nguymdczotjkmddmmtgzyza1owvknzkymme2mmuwmgy1zddiytaxm2y.jpeg)
CAS RN: 91-67-8
N,N-Diethyl-m-toluidine [for Biochemical Research]
Product Availability
Choose a grade to view its available package options.
3 package records1 with current stock1 grade group
- Product code: SSC-203770
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: 100ml
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 100ml | ≥97% | 0 Out of Stock | Shanghai | Inquiry |
91-67-8 / N,N-diethyl-3-methylaniline
Basic Information
CAS
91-67-8
Multi CAS
Yes
Molecular Formula
C11H17N
Molecular Weight
163.260000
Exact Mass
163.136100
InChI
InChI=1S/C11H17N/c1-4-12(5-2)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3
InChIKey
CIPVVROJHKLHJI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
54.74
TPSA
3.24
LogP / Solubility
WLOGP
2.84
MLOGP
2.5
XLogP3
3.5
Consensus LogP
2.95
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.95
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.44
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)
-1.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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