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CAS 6429-11-4 2-(1H-PYRAZOL-4-YL)-ETHYLAMINE DIHYDROCHLORIDE molecular structure lightbox
CAS RN: 6429-11-4

2-(1H-PYRAZOL-4-YL)-ETHYLAMINE DIHYDROCHLORIDE

  • Product code: SSC-174057
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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: 0.1g, 0.25g, 1g
  • Available purity: >95%
  • 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 6429-11-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shanghai Inquiry
0.25g >95% 1 In Stock Shenzhen Inquiry
1g >95% 1 In Stock Shanghai Inquiry

6429-11-4 / 2-(1H-pyrazol-4-yl)ethanamine;dihydrochloride

Standard CAS: 6429-11-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6429-11-4
Multi CAS
Yes
Molecular Formula
C5H11CL2N3
Molecular Weight
184.060000
Exact Mass
183.033003
InChI
InChI=1S/C5H9N3.2ClH/c6-2-1-5-3-7-8-4-5;;/h3-4H,1-2,6H2,(H,7,8);2*1H
InChIKey
QRNKXBTUKXAGHN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
45.84
TPSA
54.7

LogP / Solubility

WLOGP
0.75
MLOGP
0.66
XLogP3
0.75
Consensus LogP
0.72
Log S (ESOL)
-1.69
Class (ESOL)
Soluble
Log S (Ali)
-1.61
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.72
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)
-3.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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