CAS RN: 873-74-5
4-Aminobenzonitrile
Product Availability
Choose a grade to view its available package options.
8 package records7 with current stock3 grade groups
- Product code: SSC-197100
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: 5g, 10g, 25g, 100g, 500g
- Available purity: >98%
- Inventory rows with stock: 5
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | >98% | 5 In Stock | Shenzhen | Inquiry |
| 10g | >98% | 5 In Stock | Shanghai | Inquiry |
| 25g | >98% | 5 In Stock | Hong Kong | Inquiry |
| 100g | >98% | 5 In Stock | Shanghai | Inquiry |
| 500g | >98% | 5 In Stock | Beijing | Inquiry |
873-74-5 / 4-aminobenzonitrile
Basic Information
CAS
873-74-5
Multi CAS
Yes
Molecular Formula
C7H6N2
Molecular Weight
118.140000
Exact Mass
118.053098
InChI
InChI=1S/C7H6N2/c8-5-6-1-3-7(9)4-2-6/h1-4H,9H2
InChIKey
YBAZINRZQSAIAY-UHFFFAOYSA-N
Physical Properties
Physical Description
Off-white crystalline powder; Slightly soluble in water
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
35.57
TPSA
49.81
LogP / Solubility
WLOGP
1.14
MLOGP
0.99
XLogP3
1.3
Consensus LogP
1.14
Log S (ESOL)
-1.78
Class (ESOL)
Soluble
Log S (Ali)
-1.35
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.37
Class (SILICOS-IT)
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)
-2.63
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
