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CAS 796845-58-4 2-(1-methyl-1H-pyrazol-4-yl)ethan-1-amine molecular structure lightbox
CAS RN: 796845-58-4

2-(1-methyl-1H-pyrazol-4-yl)ethan-1-amine

  • Product code: SSC-188780
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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, 1g, 5g, 0.25g
  • Available purity: ≥97%
  • Inventory rows with stock: 4
  • 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 796845-58-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 5 In Stock Shenzhen Inquiry
1g ≥97% 5 In Stock Shenzhen Inquiry
5g ≥97% 5 In Stock Hong Kong Inquiry
0.25g ≥97% 3 In Stock Beijing Inquiry

796845-58-4 / 2-(1-methylpyrazol-4-yl)ethanamine

Standard CAS: 796845-58-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
796845-58-4
Multi CAS
No
Molecular Formula
C6H11N3
Molecular Weight
125.170000
Exact Mass
125.095297
InChI
InChI=1S/C6H11N3/c1-9-5-6(2-3-7)4-8-9/h4-5H,2-3,7H2,1H3
InChIKey
VVIZVEAXGCWHOM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
35.97
TPSA
43.84

LogP / Solubility

WLOGP
-0.08
MLOGP
-0.08
XLogP3
-0.4
Consensus LogP
-0.19
Log S (ESOL)
-0.85
Class (ESOL)
Very soluble
Log S (Ali)
-0.53
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.65
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)
-3.54

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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