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CAS 7261-70-3 N-HEXYLETHYLENEDIAMINE molecular structure lightbox
CAS RN: 7261-70-3

N-HEXYLETHYLENEDIAMINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260306 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS7261-70-3
  • Purity/Analytical Methods: >99.0%
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7261-70-3 / N'-hexylethane-1,2-diamine

Standard CAS: 7261-70-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
7261-70-3
Multi CAS
Yes
Molecular Formula
C8H20N2
Molecular Weight
144.260000
Exact Mass
144.162649
InChI
InChI=1S/C8H20N2/c1-2-3-4-5-7-10-8-6-9/h10H,2-9H2,1H3
InChIKey
ADKFRZBUXRKWDL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
7
H-bond acceptors
2
H-bond donors
2
Molar refractivity
46.07
TPSA
38.05

LogP / Solubility

WLOGP
1.11
MLOGP
0.97
XLogP3
1.2
Consensus LogP
1.09
Log S (ESOL)
-0.97
Class (ESOL)
Very soluble
Log S (Ali)
-1.55
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.36
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)
-2.81

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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