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CAS 13925-00-3 2-Ethylpyrazine molecular structure lightbox
CAS RN: 13925-00-3

2-Ethylpyrazine

  • Product code: SSC-049690
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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: 10g, 5g, 25g, 100g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 13925-00-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g >97% 5 In Stock Hong Kong Inquiry
5g >97% 3 In Stock Beijing Inquiry
25g >97% 2 In Stock Shanghai Inquiry
100g >97% 0 Out of Stock Hong Kong Inquiry

13925-00-3 / 2-ethylpyrazine

Standard CAS: 13925-00-3 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
13925-00-3
Multi CAS
No
Molecular Formula
C6H8N2
Molecular Weight
108.140000
Exact Mass
108.068748
SMILES
CCC1=NC=CN=C1
InChI
InChI=1S/C6H8N2/c1-2-6-5-7-3-4-8-6/h3-5H,2H2,1H3
InChIKey
KVFIJIWMDBAGDP-UHFFFAOYSA-N

Physical Properties

Boiling Point
152.00 to 153.00 °C. @ 760.00 mm Hg
Density
0.981-1.000
Physical Description
Colorless liquid; colourless to pale yellow liquid with a musty, nutty, peanut butter odour
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
31.41
TPSA
25.78

LogP / Solubility

WLOGP
1.04
MLOGP
0.9
XLogP3
0.7
Consensus LogP
0.88
Log S (ESOL)
-1.65
Class (ESOL)
Soluble
Log S (Ali)
-1.2
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.35
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)
-2.64

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)
Flammable Irritant
Signal
Warning
GHS Hazard Statements
H226 (14.4%): Flammable liquid and vapor [Warning Flammable liquids] H302 (88.3%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, and P501

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