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CAS 24426-16-2 N,N-DIETHYLDIETHYLENETRIAMINE molecular structure lightbox
CAS RN: 24426-16-2

N,N-DIETHYLDIETHYLENETRIAMINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250111 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS24426-16-2
  • Purity/Analytical Methods: >99.0%
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24426-16-2 / N'-[2-(diethylamino)ethyl]ethane-1,2-diamine

Standard CAS: 24426-16-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24426-16-2
Multi CAS
No
Molecular Formula
C8H21N3
Molecular Weight
159.270000
Exact Mass
159.173548
SMILES
CCN(CC)CCNCCN
InChI
InChI=1S/C8H21N3/c1-3-11(4-2)8-7-10-6-5-9/h10H,3-9H2,1-2H3
InChIKey
CEFDTSBDWYXVHY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
2
Molar refractivity
49.71
TPSA
41.29

LogP / Solubility

WLOGP
-0.12
MLOGP
-0.11
XLogP3
-0.4
Consensus LogP
-0.21
Log S (ESOL)
-0.29
Class (ESOL)
Very soluble
Log S (Ali)
-0.78
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.43
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)
-3.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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