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CAS 52198-62-6 N,N-Diethyl-1,2-ethanediamine Dihydrochloride molecular structure lightbox
CAS RN: 52198-62-6

N,N-Diethyl-1,2-ethanediamine Dihydrochloride

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260101 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-159284
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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: 5g
  • 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 52198-62-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

52198-62-6 / N',N'-diethylethane-1,2-diamine;dihydrochloride

Standard CAS: 52198-62-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
52198-62-6
Multi CAS
No
Molecular Formula
C6H18CL2N2
Molecular Weight
189.120000
Exact Mass
188.084704
InChI
InChI=1S/C6H16N2.2ClH/c1-3-8(4-2)6-5-7;;/h3-7H2,1-2H3;2*1H
InChIKey
PWLGUYGCKDLZNE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.34
TPSA
29.26

LogP / Solubility

WLOGP
1.13
MLOGP
0.99
XLogP3
1.13
Consensus LogP
1.08
Log S (ESOL)
-1.46
Class (ESOL)
Soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.31
Class (SILICOS-IT)
Moderately 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)
-3.07

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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