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CAS 179323-60-5 1-PYRAZIN-2-YL-ETHYLAMINE molecular structure lightbox
CAS RN: 179323-60-5

1-PYRAZIN-2-YL-ETHYLAMINE

  • Product code: SSC-079900
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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: 1g
  • Available purity: >95%
  • 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 179323-60-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry

179323-60-5 / 1-pyrazin-2-ylethanamine

Standard CAS: 179323-60-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
179323-60-5
Multi CAS
No
Molecular Formula
C6H9N3
Molecular Weight
123.160000
Exact Mass
123.079647
SMILES
CC(C1=NC=CN=C1)N
InChI
InChI=1S/C6H9N3/c1-5(7)6-4-8-2-3-9-6/h2-5H,7H2,1H3
InChIKey
IIGXIHLJMZQHJY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
34.63
TPSA
51.8

LogP / Solubility

WLOGP
0.5
MLOGP
0.43
XLogP3
-0.9
Consensus LogP
0.01
Log S (ESOL)
-1.34
Class (ESOL)
Soluble
Log S (Ali)
-0.93
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.99
Class (SILICOS-IT)
Very 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)
-3.12

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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