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CAS 93668-43-0 2-Imidazol-1-ylethanamine molecular structure lightbox
CAS RN: 93668-43-0

2-Imidazol-1-ylethanamine

  • Product code: SSC-208024
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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, 5g, 10g
  • 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 93668-43-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry
5g >95% 0 Out of Stock Shenzhen Inquiry
10g >95% 0 Out of Stock Beijing Inquiry

93668-43-0 / 2-imidazol-1-ylethanamine

Standard CAS: 93668-43-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
93668-43-0
Multi CAS
Yes
Molecular Formula
C5H9N3
Molecular Weight
111.150000
Exact Mass
111.079647
InChI
InChI=1S/C5H9N3.2ClH/c6-1-3-8-4-2-7-5-8;;/h2,4-5H,1,3,6H2;2*1H
InChIKey
ZFRZYBZIYLHQTL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
31.28
TPSA
43.84

LogP / Solubility

WLOGP
-0.16
MLOGP
-0.15
XLogP3
-1
Consensus LogP
-0.44
Log S (ESOL)
-0.76
Class (ESOL)
Very soluble
Log S (Ali)
-0.36
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.49
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)
-3.51

Drug-likeness / Medicinal Chemistry

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

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