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CAS 1376687-76-1 (S)-5-Chloro-2,3-dihydro-1H-inden-1-amine hydrochloride molecular structure lightbox
CAS RN: 1376687-76-1

(S)-5-Chloro-2,3-dihydro-1H-inden-1-amine hydrochloride

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Batchno.20250506 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1376687-76-1
  • Purity/Analytical Methods: >99.0%
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1376687-76-1 / (1S)-5-chloro-2,3-dihydro-1H-inden-1-amine;hydrochloride

Standard CAS: 1376687-76-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1376687-76-1
Multi CAS
No
Molecular Formula
C9H11Cl2N
Molecular Weight
204.090000
Exact Mass
203.026855
SMILES
C1CC2=C([C@H]1N)C=CC(=C2)Cl.Cl
InChI
InChI=1S/C9H10ClN.ClH/c10-7-2-3-8-6(5-7)1-4-9(8)11;/h2-3,5,9H,1,4,11H2;1H/t9-;/m0./s1
InChIKey
JRYBHXVWIQBARN-FVGYRXGTSA-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
53.95
TPSA
26.02

LogP / Solubility

WLOGP
2.71
MLOGP
2.38
XLogP3
2.71
Consensus LogP
2.6
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.23
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)
-2.04

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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