IUPAC: 3a,4,5,6,7,7a-hexahydro-1H-benzotriazole; Azanide; 1H-benzotriazole; Nickel structure

IUPAC: 3a,4,5,6,7,7a-hexahydro-1H-benzotriazole; Azanide; 1H-benzotriazole; Nickel

TL;DR: IUPAC: 3a,4,5,6,7,7a-hexahydro-1H-benzotriazole; Azanide; 1H-benzotriazole; Nickel (CAS 7240-59-7) is a chemical compound with molecular formula C36H72N24Ni3-18 and molecular weight 1014.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.

pentakis(3a,4,5,6,7,7a-hexahydro-1H-benzotriazole-2,3-diide);azanide;1H-benzotriazole-2,3-diide;nickel

Also Known As: IUPAC: 3a,4,5,6,7,7a-hexahydro-1H-benzotriazole; Azanide; 1H-benzotriazole; Nickel

CAS: 7240-59-7
Molecular Formula C36H72N24Ni3-18
Molecular Weight 1014.44 g/mol
LogP 14.0071
Topological Polar Surface Area 442.38 Ų
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 6
Rotatable Bonds 0
Exact Mass 1014.4432
Heavy Atoms 63
Complexity 990.1794

Chemical Identifiers

CAS Number 7240-59-7
SMILES C1CCC2C(C1)N[N-][N-]2.C1CCC2C(C1)N[N-][N-]2.C1CCC2C(C1)N[N-][N-]2.C1CCC2C(C1)N[N-][N-]2.C1CCC2C(C1)N[N-][N-]2.C1=CC=C2C(=C1)N[N-][N-]2.[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].[Ni].[Ni].[Ni]

Product Overview

IUPAC: 3a,4,5,6,7,7a-hexahydro-1H-benzotriazole; Azanide; 1H-benzotriazole; Nickel (CAS 7240-59-7), with molecular formula C36H72N24Ni3-18 and molecular weight 1014.44 g/mol. IUPAC: pentakis(3a,4,5,6,7,7a-hexahydro-1H-benzotriazole-2,3-diide);azanide;1H-benzotriazole-2,3-diide;nickel.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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Chemical Property Profile of IUPAC: 3a,4,5,6,7,7a-hexahydro-1H-benzotriazole; Azanide; 1H-benzotriazole; Nickel

XLogP
14.0071
TPSA (Topological Polar Surface Area)
442.38
Hydrogen Bond Donors
6
Hydrogen Bond Acceptors
6
Rotatable Bonds
0
Heavy Atoms
63
Complexity
990.1794
Exact Mass
1014.4432
Monoisotopic Mass
1016.43866
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of IUPAC: 3a,4,5,6,7,7a-hexahydro-1H-benzotriazole; Azanide; 1H-benzotriazole; Nickel

The XLogP value of 14.0071 indicates that IUPAC: 3a,4,5,6,7,7a-hexahydro-1H-benzotriazole; Azanide; 1H-benzotriazole; Nickel is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 442.38 Ų indicates high polarity, suggesting IUPAC: 3a,4,5,6,7,7a-hexahydro-1H-benzotriazole; Azanide; 1H-benzotriazole; Nickel may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, IUPAC: 3a,4,5,6,7,7a-hexahydro-1H-benzotriazole; Azanide; 1H-benzotriazole; Nickel has 6 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the typical lead time for this product?
Lead time typically ranges from 3-7 business days for in-stock items. For larger quantities or custom orders, please contact us for specific lead times.
Can you provide samples for testing?
Yes, we offer sample quantities for quality testing. Please submit an inquiry with your requirements and we will arrange samples accordingly.
What documentation do you provide with the product?
We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.
Do you ship internationally?
Yes, we ship to most countries worldwide. Shipping costs and delivery times vary by location. Please contact us for specific shipping information.

Frequently Asked Questions

What is the CAS number of IUPAC: 3a,4,5,6,7,7a-hexahydro-1H-benzotriazole; Azanide; 1H-benzotriazole; Nickel?

The CAS number of IUPAC: 3a,4,5,6,7,7a-hexahydro-1H-benzotriazole; Azanide; 1H-benzotriazole; Nickel is 7240-59-7.

What is the molecular formula of IUPAC: 3a,4,5,6,7,7a-hexahydro-1H-benzotriazole; Azanide; 1H-benzotriazole; Nickel?

The molecular formula of IUPAC: 3a,4,5,6,7,7a-hexahydro-1H-benzotriazole; Azanide; 1H-benzotriazole; Nickel is C36H72N24Ni3-18.

What is the molecular weight of IUPAC: 3a,4,5,6,7,7a-hexahydro-1H-benzotriazole; Azanide; 1H-benzotriazole; Nickel?

The molecular weight of IUPAC: 3a,4,5,6,7,7a-hexahydro-1H-benzotriazole; Azanide; 1H-benzotriazole; Nickel is 1014.44 g/mol.

Where can I buy IUPAC: 3a,4,5,6,7,7a-hexahydro-1H-benzotriazole; Azanide; 1H-benzotriazole; Nickel?

You can request a quote for IUPAC: 3a,4,5,6,7,7a-hexahydro-1H-benzotriazole; Azanide; 1H-benzotriazole; Nickel directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.

Does KEHONG BIO offer custom synthesis for IUPAC: 3a,4,5,6,7,7a-hexahydro-1H-benzotriazole; Azanide; 1H-benzotriazole; Nickel?

Yes, KEHONG BIO provides custom synthesis services for IUPAC: 3a,4,5,6,7,7a-hexahydro-1H-benzotriazole; Azanide; 1H-benzotriazole; Nickel and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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