CAS RN: 118431-88-2
3-Cyclopropyl-3-oxopropanenitrile
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.20250901 | 1g / 5g / 10g / 25g / 50g / 100g / 250g / 500g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-018200
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: 5g, 10g, 0.1g, 0.25g, 1g, 25g, 100g
- Available purity: >97%
- Inventory rows with stock: 2
- 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 |
|---|---|---|---|---|
| 5g | >97% | 1 In Stock | Shanghai | Inquiry |
| 10g | >97% | 1 In Stock | Hong Kong | Inquiry |
| 0.1g | >97% | 0 Out of Stock | Beijing | Inquiry |
| 0.25g | >97% | 0 Out of Stock | Beijing | Inquiry |
| 1g | >97% | 0 Out of Stock | Shenzhen | Inquiry |
| 25g | >97% | 0 Out of Stock | Shanghai | Inquiry |
| 100g | >97% | 0 Out of Stock | Hong Kong | Inquiry |
118431-88-2 / 3-cyclopropyl-3-oxopropanenitrile
3-cyclopropyl-3-oxopropanenitrile | DTXSID90431006 | RefChem:278852
Basic Information
CAS
118431-88-2
Multi CAS
Yes
Molecular Formula
C6H7NO
Molecular Weight
109.130000
Exact Mass
109.052764
SMILES
C1CC1C(=O)CC#N
InChI
InChI=1S/C6H7NO/c7-4-3-6(8)5-1-2-5/h5H,1-3H2
InChIKey
SDARMQNRQJBGQE-UHFFFAOYSA-N
Synonyms
3-cyclopropyl-3-oxopropanenitrile
DTXSID90431006
RefChem:278852
DTXCID70381838
815-512-7
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
27.96
TPSA
40.86
LogP / Solubility
WLOGP
0.88
MLOGP
0.76
XLogP3
0.3
Consensus LogP
0.65
Log S (ESOL)
-0.94
Class (ESOL)
Very soluble
Log S (Ali)
-1.09
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.34
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)
-2.76
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)
Acute Toxic
Irritant
Signal
Danger
GHS Hazard Statements
H227 (100%): Combustible liquid [Warning Flammable liquids]
H301 (100%): Toxic if swallowed [Danger 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 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P210, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501
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