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CAS 479408-49-6 1H-Imidazole-4-ethanamine,1-ethyl-(9CI) molecular structure lightbox
CAS RN: 479408-49-6

1H-Imidazole-4-ethanamine,1-ethyl-(9CI)

  • Product code: SSC-154923
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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 479408-49-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

479408-49-6 / 2-(1-ethylimidazol-4-yl)ethanamine

Standard CAS: 479408-49-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
479408-49-6
Multi CAS
No
Molecular Formula
C7H13N3
Molecular Weight
139.200000
Exact Mass
139.110947
InChI
InChI=1S/C7H13N3/c1-2-10-5-7(3-4-8)9-6-10/h5-6H,2-4,8H2,1H3
InChIKey
LIXGKSRWGHVUHT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.57
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
40.66
TPSA
43.84

LogP / Solubility

WLOGP
0.4
MLOGP
0.35
XLogP3
-0.3
Consensus LogP
0.15
Log S (ESOL)
-1.13
Class (ESOL)
Soluble
Log S (Ali)
-0.99
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.26
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)
-3.28

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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