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CAS 7441-43-2 4-ETHYLBENZYLAMINE molecular structure lightbox
CAS RN: 7441-43-2

4-ETHYLBENZYLAMINE

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5 package records3 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260306 1g In stock Shanghai, Shandong Inquiry
Batchno.20251222 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250613 1g Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250805 1g Out of stock 8-10 business days Inquiry
Batchno.20250613 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS7441-43-2
  • Purity/Analytical Methods: >99.0%
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7441-43-2 / (4-ethylphenyl)methanamine

Standard CAS: 7441-43-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
7441-43-2
Multi CAS
No
Molecular Formula
C9H13N
Molecular Weight
135.210000
Exact Mass
135.104799
InChI
InChI=1S/C9H13N/c1-2-8-3-5-9(7-10)6-4-8/h3-6H,2,7,10H2,1H3
InChIKey
DGAGEFUEKIORSQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
43.71
TPSA
26.02

LogP / Solubility

WLOGP
1.71
MLOGP
1.5
XLogP3
1.6
Consensus LogP
1.6
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.9
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.2
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)
-2.33

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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