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CAS 5397-31-9 3-(2-Ethylhexyloxy)propylamine molecular structure lightbox
CAS RN: 5397-31-9

3-(2-Ethylhexyloxy)propylamine

Product Availability

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6 package records6 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260325 100g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260617 1kg In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250904 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250211 500g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250813 25ml / 100ml / 500ml / 2.5L Confirm by inquiry Shanghai, Shandong, Guangdong, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251023 5ml In stock Shanghai Inquiry
  • Product code: ICTE0295
  • Purity/Analytical Methods: >98.0%(GC)(T)
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5397-31-9 / 3-(2-ethylhexoxy)propan-1-amine

Standard CAS: 5397-31-9 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
5397-31-9
Multi CAS
Yes
Molecular Formula
C11H25NO
Molecular Weight
187.320000
Exact Mass
187.193614
InChI
InChI=1S/C11H25NO/c1-3-5-7-11(4-2)10-13-9-6-8-12/h11H,3-10,12H2,1-2H3
InChIKey
DVFGEIYOLIFSRX-UHFFFAOYSA-N

Physical Properties

Physical Description
3-((2-ethylhexyl)oxy)propylamine is a colorless liquid. (NTP, 1992) Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
9
H-bond acceptors
2
H-bond donors
1
Molar refractivity
57.8
TPSA
35.25

LogP / Solubility

WLOGP
2.57
MLOGP
2.26
XLogP3
2.6
Consensus LogP
2.48
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.95
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-4.09
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)
-2.04

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
2

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