CAS RN: 105-34-0
Methyl Cyanoacetate
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250116 | 100g | In stock | Shanghai, Guangdong | Inquiry | |
| Batchno.20250905 | 10kg | In stock | Shandong | Inquiry | |
| Batchno.20250925 | 12X500g | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20250404 | 2.5kg | In stock | Shanghai, Shandong, Chongqing | Inquiry | |
| Batchno.20250223 | 25g | In stock | Shanghai, Shandong, Guangdong, Hebei | Inquiry | |
| Batchno.20260606 | 500g | In stock | Shanghai, Shandong, Guangdong, Chongqing, Hebei | Inquiry |
- Product code: SSC-006773
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, 100g, 500g, 1000g
- 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.
105-34-0 / methyl 2-cyanoacetate
METHYL CYANOACETATE | Methyl 2-cyanoacetate | Cyanoacetic acid methyl ester
Basic Information
CAS
105-34-0
Multi CAS
Yes
Molecular Formula
C4H5NO2
Molecular Weight
99.090000
Exact Mass
99.032028
SMILES
COC(=O)CC#N
InChI
InChI=1S/C4H5NO2/c1-7-4(6)2-3-5/h2H2,1H3
InChIKey
ANGDWNBGPBMQHW-UHFFFAOYSA-N
Synonyms
METHYL CYANOACETATE
Methyl 2-cyanoacetate
Cyanoacetic acid methyl ester
Methyl cyanoethanoate
Acetic acid, cyano-, methyl ester
Physical Properties
Physical Description
Liquid
Colorless liquid with a mild odor
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
22.25
TPSA
50.09
LogP / Solubility
WLOGP
0.07
MLOGP
0.05
XLogP3
-0.5
Consensus LogP
-0.13
Log S (ESOL)
-0.43
Class (ESOL)
Very soluble
Log S (Ali)
-0.43
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.48
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)
-3.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H319 (81%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P351+P338, and P337+P317
