CAS 12196-72-4 LANTHANUM NICKEL molecular structure

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CAS RN: 12196-72-4

LANTHANUM NICKEL

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Batch No.	Package	Availability	Warehouse	Inquiry
Batchno.20250901	1g	In stock	Shanghai	Inquiry

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Product code: starshine_CAS12196-72-4
Purity/Analytical Methods: >99.0%

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12196-72-4 / lanthanum;nickel

Standard CAS: 12196-72-4 Multi CAS: No

Basic Information Computed Properties Safety & Transport

Basic Information

CAS

12196-72-4

Multi CAS

Molecular Formula

LaNi5

Molecular Weight

432.370000

Exact Mass

430.578510

SMILES

[Ni].[Ni].[Ni].[Ni].[Ni].[La]

InChI

InChI=1S/La.5Ni

InChIKey

BUCVQDCWULHLJZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

TPSA

0.0000

LogP / Solubility

WLOGP

-0.01

MLOGP

0.02

XLogP3

-0.01

Consensus LogP

0.0000

Log S (ESOL)

-2.51

Class (ESOL)

Moderately soluble

Log S (Ali)

-3.1

Class (Ali)

Poorly soluble

Log S (SILICOS-IT)

-2.46

Class (SILICOS-IT)

Moderately soluble

ADME

GI absorption

High

BBB permeant

Yes

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-5.37

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Bioavailability score

0.55

Leadlikeness

Synthetic Accessibility

1.5

Safety & Transport

Pictogram(s)

Flammable Irritant Health Hazard

Signal

Danger

GHS Hazard Statements

H228 (100%): Flammable solid [Danger Flammable solids] H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] H334 (20%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory] H350 (80%): May cause cancer [Danger Carcinogenicity] H351 (20%): Suspected of causing cancer [Warning Carcinogenicity]

Precautionary Statement Codes

P203, P210, P233, P240, P241, P260, P261, P264, P270, P271, P272, P280, P284, P302+P352, P304+P340, P308+P316, P318, P319, P321, P333+P317, P342+P316, P362+P364, P370+P378, P403, P405, and P501