1,6-Bis(cyano-guanidino)hexane

• CAS: 15894-70-9
• Catalog Number: ACM15894709
• Category: Main Products
• Molecular Weight: 250.30
• Molecular Formula: C10H18N8
• Synonyms: 1,6-Bis(3-cyanoguanidino)hexane
• Appearance: White solid

Custom Q&A

What is the molecular formula of 1,6-Bis(cyano-guanidino)hexane?

The molecular formula is C10H18N8.

What are the synonyms of 1,6-Bis(cyano-guanidino)hexane?

The synonyms are 15894-70-9, N,N'''-1,6-Hexanediylbis(N'-cyanoguanidine), 1,6-di(cyanoguanidino)hexane, and Guanidine, N,N'''-1,6-hexanediylbis[N'-cyano-.

What is the molecular weight of 1,6-Bis(cyano-guanidino)hexane?

The molecular weight is 250.30 g/mol.

When was 1,6-Bis(cyano-guanidino)hexane created and modified?

It was created on 2005-08-08 and modified on 2023-10-21.

What is the IUPAC name of 1,6-Bis(cyano-guanidino)hexane?

The IUPAC name is 2-[6-[[amino-(cyanoamino)methylidene]amino]hexyl]-1-cyanoguanidine.

What is the InChI of 1,6-Bis(cyano-guanidino)hexane?

The InChI is InChI=1S/C10H18N8/c11-7-17-9(13)15-5-3-1-2-4-6-16-10(14)18-8-12/h1-6H2,(H3,13,15,17)(H3,14,16,18).

What is the InChIKey of 1,6-Bis(cyano-guanidino)hexane?

The InChIKey is YXZZOMVBHPCKMM-UHFFFAOYSA-N.

What is the Canonical SMILES of 1,6-Bis(cyano-guanidino)hexane?

The Canonical SMILES is C(CCCN=C(N)NC#N)CCN=C(N)NC#N.

What is the CAS number of 1,6-Bis(cyano-guanidino)hexane?

The CAS number is 15894-70-9.

What are the computed properties of 1,6-Bis(cyano-guanidino)hexane?

The computed properties include:
XLogP3-AA: -0.5
Hydrogen Bond Donor Count: 4
Hydrogen Bond Acceptor Count:
Rotatable Bond Count: 9
Exact Mass: 250.16544261 g/mol
Topological Polar Surface Area: 148Ų
Heavy Atom Count: 18
Formal Charge: 0
Complexity: 341
Isotope Atom Count:
Defined Atom Stereocenter Count:
Undefined Atom Stereocenter Count:
Defined Bond Stereocenter Count:
Undefined Bond Stereocenter Count:
Covalently-Bonded Unit Count: 1
Compound Is Canonicalized: Yes.

Synthetic Use

Downstream Synthesis Route 1

• 89488-77-7
• 15894-70-9

• 102944-13-8

Reference: [1]Journal of the Chemical Society,1956,p. 4422,4423

Downstream Synthesis Route 2

• 90-52-8
• 15894-70-9

• 115294-20-7

Reference: [1]Journal of the Chemical Society,1956,p. 4422,4423

* For details of the synthesis route, please refer to the original source to ensure accuracy.