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CAS 10124-27-3 ALUMINUM CHLORIDE HYDRATE molecular structure lightbox
CAS RN: 10124-27-3

ALUMINUM CHLORIDE HYDRATE

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  • Product code: starshine_CAS10124-27-3
  • Purity/Analytical Methods: >99.0%
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10124-27-3 / trichloroalumane;hydrate

Aluminum chloride hydrate | RefChem:556602 | 682-753-0

Standard CAS: 10124-27-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10124-27-3
Multi CAS
Yes
Molecular Formula
AlCl3H2O
Molecular Weight
151.350000
Exact Mass
149.898661
SMILES
O.[Al](Cl)(Cl)Cl
InChI
InChI=1S/Al.3ClH.H2O/h;3*1H;1H2/q+3;;;;/p-3
InChIKey
CAYKLJBSARHIDI-UHFFFAOYSA-K
Synonyms
Aluminum chloride hydrate RefChem:556602 682-753-0 trichloroalumane;hydrate aluminum;trichloride;hydrate

Computed Properties

Structural Parameters

Heavy atom count
5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
26.93
TPSA
31.5

LogP / Solubility

WLOGP
0.86
MLOGP
0.75
XLogP3
0.86
Consensus LogP
0.82
Log S (ESOL)
-1.32
Class (ESOL)
Soluble
Log S (Ali)
-1.42
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.36
Class (SILICOS-IT)
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)
-3.03

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

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