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Molecule
N,N′-1,6-Hexanediylbis[2,2-Dimethylhydrazinecarboxamide]
CAS: 69938-76-7 · C12H28N6O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 69938-76-7
- Molecular Formula
- C12H28N6O2
- Molecular Mass
- 288.40 g/mol
Identifiers
CAS Registry Number
69938-76-7
SMILES
CN(C)NC(O)=NCCCCCCN=C(O)NN(C)C
InChI Key
VETHREXFBVHLJJ-UHFFFAOYSA-N
InChI
InChI=1S/C12H28N6O2/c1-17(2)15-11(19)13-9-7-5-6-8-10-14-12(20)16-18(3)4/h5-10H2,1-4H3,(H2,13,15,19)(H2,14,16,20)
Names and Synonyms
- N,N′-1,6-Hexanediylbis[2,2-Dimethylhydrazinecarboxamide] Systematic Name
- N,N′-1,6-Hexanediylbis[2,2-dimethylhydrazinecarboxamide] Synonym
- 1,6-Hexamethylenebis(N,N-dimethylsemicarbazide) Synonym
- 1,6-Hexamethylenebis(dimethylsemicarbazide) Synonym
- HN 130 Synonym
- HN 200 Synonym
- AF 24 Synonym
- Antifade 3000 Synonym
- HK 130 Synonym
- Hydrazinecarboxamide, N,N′-1,6-hexanediylbis[2,2-dimethyl- Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 288.40 g/mol | CAS Common Chemistry |
| 288.396 g/mol | RDKit | |
| Canonical SMILES | O=C(NN(C)C)NCCCCCCNC(=O)NN(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C12H28N6O2/c1-17(2)15-11(19)13-9-7-5-6-8-10-14-12(20)16-18(3)4/h5-10H2,1-4H3,(H2,13,15,19)(H2,14,16,20) | CAS Common Chemistry |
| InChI Key | InChIKey=VETHREXFBVHLJJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 145-148 °C @ Solvent: Benzene | CAS Common Chemistry |
| Name | N,N′-1,6-Hexanediylbis[2,2-dimethylhydrazinecarboxamide] | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 95.72 Ų | RDKit |
| 95.26 Ų | chempirical lib | |
| LogP | 0.5072000000000016 | RDKit |
| 0.5072 | RDKit | |
| Molar Refractivity | 81.97500000000005 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8333 | RDKit |
| 0.83 | chempirical lib | |
| Exact Mass | 288.227374136 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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5
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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100
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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.
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MW = 288.40 g/mol. Edit any field — others recompute live.
