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CAS 6528-88-7 1-(2-Aminoethyl)-2-methyl-2-imidazoline molecular structure lightbox
CAS RN: 6528-88-7

1-(2-Aminoethyl)-2-methyl-2-imidazoline

  • Product code: SSC-174933
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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 6528-88-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

6528-88-7 / 2-(2-methyl-4,5-dihydroimidazol-1-yl)ethanamine

Standard CAS: 6528-88-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6528-88-7
Multi CAS
Yes
Molecular Formula
C6H13N3
Molecular Weight
127.190000
Exact Mass
127.110947
InChI
InChI=1S/C6H13N3/c1-6-8-3-5-9(6)4-2-7/h2-5,7H2,1H3
InChIKey
WJIHUNGBYXWBAO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
38.6
TPSA
41.62

LogP / Solubility

WLOGP
-0.32
MLOGP
-0.29
XLogP3
-0.2
Consensus LogP
-0.27
Log S (ESOL)
-0.29
Class (ESOL)
Very soluble
Log S (Ali)
-0.37
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.46
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)
-3.72

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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