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CAS 20726-63-0 Diethylamine Acetate molecular structure lightbox
CAS RN: 20726-63-0

Diethylamine Acetate

  • Product code: SSC-097587
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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: 25g
  • 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 20726-63-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞95% 0 Out of Stock Beijing Inquiry

20726-63-0 / acetic acid;N-ethylethanamine

Standard CAS: 20726-63-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20726-63-0
Multi CAS
No
Molecular Formula
C6H15NO2
Molecular Weight
133.190000
Exact Mass
133.110279
SMILES
CCNCC.CC(=O)O
InChI
InChI=1S/C4H11N.C2H4O2/c1-3-5-4-2;1-2(3)4/h5H,3-4H2,1-2H3;1H3,(H,3,4)
InChIKey
UEHUZQKLOWYOMO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
37.53
TPSA
49.33

LogP / Solubility

WLOGP
0.71
MLOGP
0.61
XLogP3
0.71
Consensus LogP
0.68
Log S (ESOL)
-0.98
Class (ESOL)
Very soluble
Log S (Ali)
-1.16
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.35
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)
-3.03

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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