CAS RN: 1885-29-6
2-Aminobenzonitrile
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.20260517 | 1g / 5g / 25g / 100g / 500g / 2.5kg | Confirm by inquiry | Shanghai, Shandong, Guangdong, Hebei, Chongqing | Inquiry |
- Product code: SSC-087720
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: 25g, 5g, 100g, 10g, 500g
- Available purity: ≥98%
- Inventory rows with stock: 4
- 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 |
|---|---|---|---|---|
| 25g | ≥98% | 5 In Stock | Shanghai | Inquiry |
| 5g | ≥98% | 4 In Stock | Shanghai | Inquiry |
| 100g | ≥98% | 4 In Stock | Hong Kong | Inquiry |
| 10g | ≥98% | 3 In Stock | Shanghai | Inquiry |
| 500g | ≥98% | 0 Out of Stock | Beijing | Inquiry |
1885-29-6 / 2-aminobenzonitrile
Basic Information
CAS
1885-29-6
Multi CAS
No
Molecular Formula
C7H6N2
Molecular Weight
118.140000
Exact Mass
118.053098
SMILES
C1=CC=C(C(=C1)C#N)N
InChI
InChI=1S/C7H6N2/c8-5-6-3-1-2-4-7(6)9/h1-4H,9H2
InChIKey
HLCPWBZNUKCSBN-UHFFFAOYSA-N
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
1.4
Consensus LogP
1.18
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
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (31%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (30.4%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H315 (31.6%): Causes skin irritation [Warning Skin corrosion/irritation]
H317 (29.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]
H319 (97.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501
