![CAS 17683-09-9 1-Benzyl-3-p-tolyltriazene [for Esterification] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b0949-jpgcontextbwfzdgvyfhjvb3r8mju3nzj8aw1hz2uvanblz3xomguvagrjlzg5mjg2mdazote3mtavqja5ndkuanbnfdc3nza0mdbhodeyyzc5yzhkm2niogiymzmxndzhmwexmmzjytbmmdzlzdk0ngvkmwrhmjaxmty1ztu4zgmwyti.jpeg)
CAS RN: 17683-09-9
1-Benzyl-3-p-tolyltriazene [for Esterification]
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260421 | 200mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: ICTB0949
- Purity/Analytical Methods: >98.0%(T)
17683-09-9 / N-(benzyldiazenyl)-4-methylaniline
Basic Information
CAS
17683-09-9
Multi CAS
No
Molecular Formula
C14H15N3
Molecular Weight
225.290000
Exact Mass
225.126597
SMILES
CC1=CC=C(C=C1)NN=NCC2=CC=CC=C2
InChI
InChI=1S/C14H15N3/c1-12-7-9-14(10-8-12)16-17-15-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,15,16)
InChIKey
IWCGEJKKDAJKJE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
69.8
TPSA
36.75
LogP / Solubility
WLOGP
3.97
MLOGP
3.5
XLogP3
4.3
Consensus LogP
3.92
Log S (ESOL)
-4
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.9
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Flammable
Irritant
Signal
Danger
GHS Hazard Statements
H228 (100%): Flammable solid [Danger Flammable solids]
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P210, P240, P241, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P370+P378, and P501
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