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CAS 38734-69-9 ETHYLENEDIAMINE DIACETATE molecular structure lightbox
CAS RN: 38734-69-9

ETHYLENEDIAMINE DIACETATE

  • Product code: SSC-146342
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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: ＞97%
  • 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 38734-69-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

38734-69-9 / acetic acid;ethane-1,2-diamine

Standard CAS: 38734-69-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
38734-69-9
Multi CAS
No
Molecular Formula
C6H16N2O4
Molecular Weight
180.200000
Exact Mass
180.111007
InChI
InChI=1S/C2H8N2.2C2H4O2/c3-1-2-4;2*1-2(3)4/h1-4H2;2*1H3,(H,3,4)
InChIKey
SAXQBSJDTDGBHS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
4
Molar refractivity
44.73
TPSA
126.64

LogP / Solubility

WLOGP
-0.91
MLOGP
-0.81
XLogP3
-0.91
Consensus LogP
-0.88
Log S (ESOL)
-0.32
Class (ESOL)
Very soluble
Log S (Ali)
-0.38
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.19
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.47

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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