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CAS 30113-45-2 3-(isodecyloxy)propylamine molecular structure lightbox
CAS RN: 30113-45-2

3-(isodecyloxy)propylamine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251126 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS30113-45-2
  • Purity/Analytical Methods: >99.0%
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30113-45-2 / 3-(8-methylnonoxy)propan-1-amine

Standard CAS: 30113-45-2 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
30113-45-2
Multi CAS
Yes
Molecular Formula
C13H29NO
Molecular Weight
215.380000
Exact Mass
215.224915
InChI
InChI=1S/C13H29NO/c1-13(2)9-6-4-3-5-7-11-15-12-8-10-14/h13H,3-12,14H2,1-2H3
InChIKey
DHIBIUNZWFPELU-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
1
Rotatable bonds
11
H-bond acceptors
2
H-bond donors
1
Molar refractivity
67.03
TPSA
35.25

LogP / Solubility

WLOGP
3.35
MLOGP
2.95
XLogP3
3.7
Consensus LogP
3.33
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.74
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-5.16
Class (SILICOS-IT)
Slightly 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)
-1.66

Drug-likeness / Medicinal Chemistry

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

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