Back to Search
1,6-Bis(Cyanoguanidino)Hexane
CAS: 15894-70-9 | C10H18N8
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
15894-70-9
Molecular Formula:
C10H18N8
Molecular Mass:
250.31 g/mol
Names and Synonyms:
1,6-Bis(Cyanoguanidino)Hexane
Guanidine, N,N′′′-1,6-hexanediylbis[N′-cyano-
Guanidine, 1,1′-hexamethylenebis[3-cyano-
N,N′′′-1,6-Hexanediylbis[N′-cyanoguanidine]
1,6-Bis(N3-cyano-N1-guanidino)hexane
Hexamethylenebis(dicyanodiamide)
1,6-Bis(cyanoguanidino)hexane
1,6-Di(cyanoguanidino)hexane
N,N′-Bis(cyanoguanidine)-1,6-hexanediamine
2-[6-[[Amino-(cyanoamino)methylidene]amino]hexyl]-1-cyanoguanidine
Identifiers:
SMILES:
N#CNC(=N)NCCCCCCNC(=N)NC#N
InChI:
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)
Key Properties
Melting Point
202-203 °C @ Solvent: Water
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 250.31 g/mol | CAS Common Chemistry |
| 250.16544257599998 g/mol | RDKit | |
| Canonical SMILES | N#CNC(=N)NCCCCCCNC(=N)NC#N | CAS Common Chemistry |
| InChI | 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) | CAS Common Chemistry |
| InChI Key | InChIKey=YXZZOMVBHPCKMM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 202-203 °C @ Solvent: Water | CAS Common Chemistry |
| Name | 1,6-Bis(cyanoguanidino)hexane | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 6 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 143.4 Ų | RDKit |
| LogP | -0.2630999999999998 | RDKit |
| Molar Refractivity | 67.42420000000001 | RDKit |
