CAS 10196-18-6 Zinc nitrate hexahydrate molecular structure

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CAS RN: 10196-18-6

Zinc nitrate hexahydrate

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Product code: starshine_CAS10196-18-6
Purity/Analytical Methods: >99.0%

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10196-18-6 / zinc;dinitrate;hexahydrate

Zinc nitrate hexahydrate | RefChem:904964 | Dusicnan zinecnaty

Standard CAS: 10196-18-6 Multi CAS: Yes

Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS

10196-18-6

Multi CAS

Yes

Molecular Formula

H12N2O12Zn

Molecular Weight

297.500000

Exact Mass

295.968166

SMILES

[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.O.O.O.O.O.[Zn+2]

InChI

InChI=1S/2NO3.6H2O.Zn/c2*2-1(3)4;;;;;;;/h;;6*1H2;/q2*-1;;;;;;;+2

InChIKey

JGPSMWXKRPZZRG-UHFFFAOYSA-N

Synonyms

Zinc nitrate hexahydrate RefChem:904964 Dusicnan zinecnaty zinc;dinitrate;hexahydrate MFCD00149889

Physical Properties

Physical Description

Colorless odorless solid; Melting point approximately 36 deg C; [Merck Index] White odorless crystals or powder; Hygroscopic

State

Solid

Computed Properties

Structural Parameters

Heavy atom count

H-bond acceptors

H-bond donors

Molar refractivity

42.41

TPSA

321.4

LogP / Solubility

WLOGP

-5.43

MLOGP

-4.77

XLogP3

-5.43

Consensus LogP

-5.21

Log S (ESOL)

1.74

Class (ESOL)

Highly soluble

Log S (Ali)

1.92

Class (Ali)

Highly soluble

Log S (SILICOS-IT)

2.91

Class (SILICOS-IT)

Highly soluble

ADME

GI absorption

Low

BBB permeant

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-8.39

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Egan

Muegge

Bioavailability score

0.55

Brenk alerts

Leadlikeness

Yes

Synthetic Accessibility

1.5

Safety & Transport

Pictogram(s)

Oxidizer Irritant Environmental Hazard Health Hazard

Signal

Danger

GHS Hazard Statements

H272 (100%): May intensify fire; oxidizer [Danger Oxidizing liquids; Oxidizing solids] H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (99%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (96.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (99%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statement Codes

P210, P220, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P405, and P501 P210, P220, P260, P264, P270, P280, P301+P317, P308+P316, P330, P370+P378, P405, and P501