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CAS 13925-03-6 2-ethyl-6-methylpyrazine molecular structure lightbox
CAS RN: 13925-03-6

2-ethyl-6-methylpyrazine

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250817 10mg / 50mg / 250mg / 1g Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
  • Product code: starshine_CAS13925-03-6
  • Purity/Analytical Methods: >99.0%
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13925-03-6 / 2-ethyl-6-methylpyrazine

Standard CAS: 13925-03-6 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
13925-03-6
Multi CAS
No
Molecular Formula
C7H10N2
Molecular Weight
122.170000
Exact Mass
122.084398
SMILES
CCC1=NC(=CN=C1)C
InChI
InChI=1S/C7H10N2/c1-3-7-5-8-4-6(2)9-7/h4-5H,3H2,1-2H3
InChIKey
RAFHQTNQEZECFL-UHFFFAOYSA-N

Physical Properties

Boiling Point
80.00 °C. @ 50.00 mm Hg
Density
0.967-0.980
Physical Description
colourless to slightly yellow liquid with a roasted baked potato odour
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
36.15
TPSA
25.78

LogP / Solubility

WLOGP
1.35
MLOGP
1.18
XLogP3
1
Consensus LogP
1.18
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-1.53
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.69
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)
-2.51

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 (26.9%): Flammable liquid and vapor [Warning Flammable liquids] H302 (100%): 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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