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Molecule
Cyclohexanamine, N-Cyclohexyl-, Nitrite (1:1)
CAS: 3129-91-7 · C12H24N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 3129-91-7
- Molecular Formula
- C12H24N2O2
- Molecular Mass
- 228.34 g/mol
Identifiers
CAS Registry Number
3129-91-7
SMILES
C1CCC(NC2CCCCC2)CC1.O=NO
InChI Key
ZFAKTZXUUNBLEB-UHFFFAOYSA-N
InChI
InChI=1S/C12H23N.HNO2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2-1-3/h11-13H,1-10H2;(H,2,3)
Names and Synonyms
- Cyclohexanamine, N-Cyclohexyl-, Nitrite (1:1) Synonym
- Cyclohexanamine, N-cyclohexyl-, nitrite (1:1) Synonym
- Dicyclohexylamine, nitrite Synonym
- Cyclohexanamine, N-cyclohexyl-, nitrite Synonym
- Dicyclohexylammonium nitrite Synonym
- NDA Synonym
- Dichan Synonym
- Leukorrosin C Synonym
- Diana (corrosion inhibitor) Synonym
- Nitrous acid compd. with N-cyclohexylcyclohexanamine (1:1) Synonym
- NDA (corrosion inhibitor) Synonym
- TVI Synonym
- VPI 260 Synonym
- Diana Synonym
- VP 1260 Synonym
- Dicyclohexylamine nitrous acid salt Synonym
- NSC 49612 Synonym
- Nitrous acid compd. with dicyclohexylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 228.34 g/mol | CAS Common Chemistry |
| 228.33599999999996 g/mol | RDKit | |
| 228.336 g/mol | RDKit | |
| Canonical SMILES | O=NO.N(C1CCCCC1)C2CCCCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H23N.HNO2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2-1-3/h11-13H,1-10H2;(H,2,3) | CAS Common Chemistry |
| InChI Key | InChIKey=ZFAKTZXUUNBLEB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 176-178 °C (decomp) | CAS Common Chemistry |
| Name | Cyclohexanamine, N-cyclohexyl-, nitrite (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 61.69 Ų | RDKit |
| LogP | 3.3834000000000017 | RDKit |
| 3.3834 | RDKit | |
| 3.14 | chempirical lib | |
| Molar Refractivity | 64.46320000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 228.183778008 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
180
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20
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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.
External Resources
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MW = 228.34 g/mol. Edit any field — others recompute live.
