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CAS 6653-42-5 5-METHYL-1H-IMIDAZOL-2-YLAMINE molecular structure lightbox
CAS RN: 6653-42-5

5-METHYL-1H-IMIDAZOL-2-YLAMINE

  • Product code: SSC-176231
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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: 0.1g, 0.25g, 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 6653-42-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 0 Out of Stock Shenzhen Inquiry
0.25g >95% 0 Out of Stock Shanghai Inquiry
1g >95% 0 Out of Stock Beijing Inquiry

6653-42-5 / 5-methyl-1H-imidazol-2-amine

Standard CAS: 6653-42-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6653-42-5
Multi CAS
Yes
Molecular Formula
C4H7N3
Molecular Weight
97.120000
Exact Mass
97.063997
InChI
InChI=1S/C4H7N3/c1-3-2-6-4(5)7-3/h2H,1H3,(H3,5,6,7)
InChIKey
BKRYFHAXBGUIOI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Aromatic heavy atom count
5
Fraction Csp3
0.25
H-bond acceptors
2
H-bond donors
2
Molar refractivity
27.74
TPSA
54.7

LogP / Solubility

WLOGP
0.3
MLOGP
0.25
XLogP3
0.1
Consensus LogP
0.22
Log S (ESOL)
-1.16
Class (ESOL)
Soluble
Log S (Ali)
-0.57
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.54
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)
-3.1

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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