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, 1000g, 500g
- Available purity: >97%
- Inventory rows with stock: 8
- 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 | -- | 5 In Stock | Shenzhen | Inquiry |
| 25g | >97% | 5 In Stock | Shenzhen | Inquiry |
| 100g | -- | 5 In Stock | Hong Kong | Inquiry |
| 100g | >97% | 5 In Stock | Hong Kong | Inquiry |
| 1000g | -- | 5 In Stock | Shenzhen | Inquiry |
| 1000g | >97% | 5 In Stock | Shenzhen | Inquiry |
| 500g | -- | 4 In Stock | Hong Kong | Inquiry |
| 500g | >97% | 4 In Stock | Shenzhen | Inquiry |
107-91-5 / 2-cyanoacetamide
2-Cyanoacetamide | CYANOACETAMIDE | Acetamide, 2-cyano-
Basic Information
CAS
107-91-5
Multi CAS
Yes
Molecular Formula
C3H4N2O
Molecular Weight
84.080000
Exact Mass
84.032363
SMILES
C(C#N)C(=O)N
InChI
InChI=1S/C3H4N2O/c4-2-1-3(5)6/h1H2,(H2,5,6)
InChIKey
DGJMPUGMZIKDRO-UHFFFAOYSA-N
Synonyms
2-Cyanoacetamide
CYANOACETAMIDE
Acetamide, 2-cyano-
Cyanacetamide
Malonamide nitrile
Physical Properties
Melting Point
119.5 °C
Boiling Point
BP: DECOMPOSES
Physical Description
White solid; [Hawley] White powder
Appearance
NEEDLES FROM ALCOHOL
PLATES (WATER)
WHITE POWDER
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
19.42
TPSA
66.88
LogP / Solubility
WLOGP
-0.61
MLOGP
-0.55
XLogP3
-1
Consensus LogP
-0.72
Log S (ESOL)
0.09
Class (ESOL)
Highly soluble
Log S (Ali)
0.19
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.18
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
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)
-3.67
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
H302 (77.4%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (82.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
