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CAS 12635-29-9 Aluminium-nickel molecular structure lightbox
CAS RN: 12635-29-9

Aluminium-nickel

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4 package records4 with current stock1 grade group
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  • Product code: starshine_CAS12635-29-9
  • Purity/Analytical Methods: >99.0%
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12635-29-9 / aluminum;nickel

Standard CAS: 12635-29-9 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
12635-29-9
Multi CAS
No
Molecular Formula
AlNi
Molecular Weight
85.675000
Exact Mass
84.916880
SMILES
[Al].[Ni]
InChI
InChI=1S/Al.Ni
InChIKey
NPXOKRUENSOPAO-UHFFFAOYSA-N

Physical Properties

Physical Description
Gray powder; Insoluble in water
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
2
Molar refractivity
5.75
TPSA
0.0000

LogP / Solubility

WLOGP
-0.38
MLOGP
-0.35
XLogP3
-0.38
Consensus LogP
-0.37
Log S (ESOL)
-0.13
Class (ESOL)
Very soluble
Log S (Ali)
0.01
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.1
Class (SILICOS-IT)
Highly 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)
-3.51

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)
Health Hazard Environmental Hazard Flammable Irritant
Signal
Danger
GHS Hazard Statements
H350i (37.8%): May cause cancer by inhalation [Danger Carcinogenicity] H351 (56.8%): Suspected of causing cancer [Warning Carcinogenicity] H411 (50%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] H412 (43.2%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] H228 (71.4%): Flammable solid [Danger Flammable solids]
Precautionary Statement Codes
P203, P273, P280, P318, P391, P405, and P501 P203, P210, P231+P232, P233, P240, P241, P260, P261, P264, P270, P271, P272, P273, P280, P284, P302+P352, P304+P340, P318, P319, P321, P333+P317, P342+P316, P362+P364, P370+P378, P402+P404, P403, P405, and P501

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