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CAS 4605-14-5 N,N’-BIS(3-AMINOPROPYL)-1,3-PROPANEDIAMINE molecular structure lightbox
CAS RN: 4605-14-5

N,N’-BIS(3-AMINOPROPYL)-1,3-PROPANEDIAMINE

Product Availability

Choose a grade to view its available package options.

3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250121 1g In stock Shanghai, Shandong Inquiry
Batchno.20251001 250mg In stock Shanghai, Shandong, Guangdong Inquiry
Batchno.20260509 5g In stock Shandong Inquiry
  • Product code: starshine_CAS4605-14-5
  • Purity/Analytical Methods: >99.0%
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4605-14-5 / N'-[3-(3-aminopropylamino)propyl]propane-1,3-diamine

Standard CAS: 4605-14-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4605-14-5
Multi CAS
Yes
Molecular Formula
C9H24N4
Molecular Weight
188.310000
Exact Mass
188.200097
InChI
InChI=1S/C9H24N4/c10-4-1-6-12-8-3-9-13-7-2-5-11/h12-13H,1-11H2
InChIKey
ZAXCZCOUDLENMH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
10
H-bond acceptors
4
H-bond donors
4
Molar refractivity
57.7
TPSA
76.1

LogP / Solubility

WLOGP
-0.75
MLOGP
-0.66
XLogP3
-1.4
Consensus LogP
-0.94
Log S (ESOL)
0.12
Class (ESOL)
Highly soluble
Log S (Ali)
-0.57
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.46
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
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)
-4.4

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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