CAS RN: 2079-89-2
3-Aminopropionitrile Fumarate
Product Availability
Choose a grade to view its available package options.
11 package records8 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260527 | 1ml | Out of stock | 8-10 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250107 | 10g | In stock | Shanghai | Inquiry | |
| Batchno.20260530 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20260227 | 25g | In stock | Shanghai | Inquiry | |
| Batchno.20260508 | 5g | In stock | Shanghai | Inquiry | |
| Batchno.20260316 | 5g / 25g / 100g / 500g | Confirm by inquiry | Shanghai, Shandong, Hebei | Inquiry |
- Product code: SSC-097819
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: 5g
- Available purity: ≥98%
- 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 |
|---|---|---|---|---|
| 5g | ≥98% | 0 Out of Stock | Hong Kong | Inquiry |
2079-89-2 / bis(3-aminopropanenitrile);(E)-but-2-enedioic acid
Basic Information
CAS
2079-89-2
Multi CAS
No
Molecular Formula
C10H16N4O4
Molecular Weight
256.260000
Exact Mass
256.117155
SMILES
C(CN)C#N.C(CN)C#N.C(=C/C(=O)O)\C(=O)O
InChI
InChI=1S/C4H4O4.2C3H6N2/c5-3(6)1-2-4(7)8;2*4-2-1-3-5/h1-2H,(H,5,6)(H,7,8);2*1-2,4H2/b2-1+;;
InChIKey
NYMXYZMHOZAPHQ-SEPHDYHBSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
4
Molar refractivity
62.98
TPSA
174.22
LogP / Solubility
WLOGP
-0.57
MLOGP
-0.5
XLogP3
-0.57
Consensus LogP
-0.55
Log S (ESOL)
-0.81
Class (ESOL)
Very soluble
Log S (Ali)
-1.25
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.33
Class (SILICOS-IT)
Soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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