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Molecule
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
Identifiers
CAS Registry Number
15894-70-9
SMILES
N#CNC(=N)NCCCCCCNC(=N)NC#N
InChI Key
YXZZOMVBHPCKMM-UHFFFAOYSA-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)
Names and Synonyms
- 1,6-Bis(Cyanoguanidino)Hexane Synonym
- Guanidine, N,N′′′-1,6-hexanediylbis[N′-cyano- Synonym
- Guanidine, 1,1′-hexamethylenebis[3-cyano- Synonym
- N,N′′′-1,6-Hexanediylbis[N′-cyanoguanidine] Synonym
- 1,6-Bis(N3-cyano-N1-guanidino)hexane Synonym
- Hexamethylenebis(dicyanodiamide) Synonym
- 1,6-Bis(cyanoguanidino)hexane Synonym
- 1,6-Di(cyanoguanidino)hexane Synonym
- N,N′-Bis(cyanoguanidine)-1,6-hexanediamine Synonym
- 2-[6-[[Amino-(cyanoamino)methylidene]amino]hexyl]-1-cyanoguanidine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 250.31 g/mol | CAS Common Chemistry |
| 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 |
| -0.2631 | RDKit | |
| Molar Refractivity | 67.42420000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 250.16544257599998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 250.31 g/mol. Edit any field — others recompute live.
