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CAS 54813-77-3 N-ETHYL-N-ISOPROPYLANILINE molecular structure lightbox
CAS RN: 54813-77-3

N-ETHYL-N-ISOPROPYLANILINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250401 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS54813-77-3
  • Purity/Analytical Methods: >99.0%
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54813-77-3 / N-ethyl-N-propan-2-ylaniline

Standard CAS: 54813-77-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
54813-77-3
Multi CAS
No
Molecular Formula
C11H17N
Molecular Weight
163.260000
Exact Mass
163.136100
InChI
InChI=1S/C11H17N/c1-4-12(10(2)3)11-8-6-5-7-9-11/h5-10H,4H2,1-3H3
InChIKey
LHGCJZLKSBOOTD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
54.6
TPSA
3.24

LogP / Solubility

WLOGP
2.92
MLOGP
2.57
XLogP3
3.2
Consensus LogP
2.9
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.51
Class (SILICOS-IT)
Poorly 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)
-1.64

Drug-likeness / Medicinal Chemistry

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

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