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CAS 1558-82-3 Ethyl N-Cyanoacetimidate molecular structure lightbox
CAS RN: 1558-82-3

Ethyl N-Cyanoacetimidate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250511 5g / 10g / 25g / 100g / 500g Confirm by inquiry Shandong, Shanghai, Guangdong Inquiry
  • Product code: SSC-065071
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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
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1558-82-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ≥97% 0 Out of Stock Shenzhen Inquiry

1558-82-3 / ethyl N-cyanoethanimidate

Standard CAS: 1558-82-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1558-82-3
Multi CAS
No
Molecular Formula
C5H8N2O
Molecular Weight
112.130000
Exact Mass
112.063663
SMILES
CCOC(=NC#N)C
InChI
InChI=1S/C5H8N2O/c1-3-8-5(2)7-4-6/h3H2,1-2H3
InChIKey
PLVWUINOWYHRAA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.6
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
30.35
TPSA
45.38

LogP / Solubility

WLOGP
0.92
MLOGP
0.8
XLogP3
0.8
Consensus LogP
0.84
Log S (ESOL)
-1.05
Class (ESOL)
Soluble
Log S (Ali)
-1.15
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.27
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)
-2.75

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)
Acute Toxic Irritant Flammable
Signal
Danger Warning
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P316, P317, P321, P330, P362+P364, P403+P233, P405, and P501 P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501

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