![CAS 69293-74-9 4-[(diethylamino)methyl]benzonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/69293-74-9.gif)
CAS RN: 69293-74-9
4-[(diethylamino)methyl]benzonitrile
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251104 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS69293-74-9
- Purity/Analytical Methods: >99.0%
69293-74-9 / 4-(diethylaminomethyl)benzonitrile
Basic Information
CAS
69293-74-9
Multi CAS
No
Molecular Formula
C12H16N2
Molecular Weight
188.270000
Exact Mass
188.131349
InChI
InChI=1S/C12H16N2/c1-3-14(4-2)10-12-7-5-11(9-13)6-8-12/h5-8H,3-4,10H2,1-2H3
InChIKey
XWLYXADFVFHUKA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
57.78
TPSA
27.03
LogP / Solubility
WLOGP
2.4
MLOGP
2.11
XLogP3
2.2
Consensus LogP
2.24
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.84
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.36
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)
-2.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
3-beta-O-(cis-p-Coumaroyl)maslinic acid
- CAS RN: 69297-40-1
- Product Code: starshine_CAS69297-40-1
- Purity/Analytical method: >99.0%
-
-
Phosphonic acid, P,P’,P”,P”’-[1,2,4,5-benzenetetrayltetrakis(methylene)]tetrakis-
- CAS RN: 69303-28-2
- Product Code: starshine_CAS69303-28-2
- Purity/Analytical method: >99.0%
-
L-ARGININE 7-AMIDO-4-METHYLCOUMARIN DIHYDROCHLORIDE
- CAS RN: 69304-16-1
- Product Code: starshine_CAS69304-16-1
- Purity/Analytical method: >99.0%
-
3′,5′-O-(1,1,3,3-Tetraisopropyl-1,3-disiloxanediyl)uridine
- CAS RN: 69304-38-7
- Product Code: SSC-178939
-
3′,5′-O-(1,1,3,3-Tetraisopropyl-1,3-disiloxanediyl)guanosine
- CAS RN: 69304-44-5
- Product Code: starshine_CAS69304-44-5
- Purity/Analytical method: >99.0%
![CAS 69303-28-2 Phosphonic acid, P,P’,P”,P”’-[1,2,4,5-benzenetetrayltetrakis(methylene)]tetrakis- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/69303-28-2.gif)
