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CAS 54489-65-5 1,2,3,4-Tetrahydro-quinolin-8-ylaMine hydrochloride molecular structure lightbox
CAS RN: 54489-65-5

1,2,3,4-Tetrahydro-quinolin-8-ylaMine hydrochloride

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251218 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS54489-65-5
  • Purity/Analytical Methods: >99.0%
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54489-65-5 / 1,2,3,4-tetrahydroquinolin-8-amine;hydrochloride

Standard CAS: 54489-65-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
54489-65-5
Multi CAS
Yes
Molecular Formula
C9H13CLN2
Molecular Weight
184.660000
Exact Mass
184.076726
InChI
InChI=1S/C9H12N2.ClH/c10-8-5-1-3-7-4-2-6-11-9(7)8;/h1,3,5,11H,2,4,6,10H2;1H
InChIKey
DLTPSLJLSVMXHE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
2
H-bond donors
2
Molar refractivity
54.91
TPSA
38.05

LogP / Solubility

WLOGP
2.05
MLOGP
1.8
XLogP3
2.05
Consensus LogP
1.97
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
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)
-2.39

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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