CAS RN: 110-67-8
3-Methoxypropionitrile
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.20260327 | 25g / 100g / 500g / 2.5kg | Confirm by inquiry | Shanghai, Shandong, Guangdong, Chongqing | Inquiry |
- Product code: SSC-011259
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: 500g
- Available purity: >97%
- 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 |
|---|---|---|---|---|
| 500g | >97% | 0 Out of Stock | Shanghai | Inquiry |
110-67-8 / 3-methoxypropanenitrile
3-Methoxypropionitrile | 3-Methoxypropanenitrile | PROPANENITRILE, 3-METHOXY-
Basic Information
CAS
110-67-8
Multi CAS
Yes
Molecular Formula
C4H7NO
Molecular Weight
85.100000
Exact Mass
85.052764
SMILES
COCCC#N
InChI
InChI=1S/C4H7NO/c1-6-4-2-3-5/h2,4H2,1H3
InChIKey
OOWFYDWAMOKVSF-UHFFFAOYSA-N
Synonyms
3-Methoxypropionitrile
3-Methoxypropanenitrile
PROPANENITRILE, 3-METHOXY-
2-Cyanoethyl methyl ether
beta-Methoxypropionitrile
Computed Properties
Structural Parameters
Heavy atom count
6
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
22.11
TPSA
33.02
LogP / Solubility
WLOGP
0.55
MLOGP
0.47
XLogP3
-0.2
Consensus LogP
0.27
Log S (ESOL)
-0.58
Class (ESOL)
Very soluble
Log S (Ali)
-0.65
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.91
Class (SILICOS-IT)
Very 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)
-2.85
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
H315 (24.1%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (98.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (29.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
