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CAS 148940-94-7 6-FLUORO-INDAN-1-YLAMINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 148940-94-7

6-FLUORO-INDAN-1-YLAMINE HYDROCHLORIDE

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250815 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS148940-94-7
  • Purity/Analytical Methods: >99.0%
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148940-94-7 / 6-fluoro-2,3-dihydro-1H-inden-1-amine;hydrochloride

Standard CAS: 148940-94-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
148940-94-7
Multi CAS
No
Molecular Formula
C9H11ClFN
Molecular Weight
187.640000
Exact Mass
187.056405
SMILES
C1CC2=C(C1N)C=C(C=C2)F.Cl
InChI
InChI=1S/C9H10FN.ClH/c10-7-3-1-6-2-4-9(11)8(6)5-7;/h1,3,5,9H,2,4,11H2;1H
InChIKey
INNMZPPLAARVHQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.9
TPSA
26.02

LogP / Solubility

WLOGP
2.19
MLOGP
1.93
XLogP3
2.19
Consensus LogP
2.1
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.7
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)
-2.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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