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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
Names and Synonyms:
Cyclohexanamine, N-Cyclohexyl-, Nitrite (1:1)
Cyclohexanamine, N-cyclohexyl-, nitrite (1:1)
Dicyclohexylamine, nitrite
Cyclohexanamine, N-cyclohexyl-, nitrite
Dicyclohexylammonium nitrite
NDA
Dichan
Leukorrosin C
Diana (corrosion inhibitor)
Nitrous acid compd. with N-cyclohexylcyclohexanamine (1:1)
NDA (corrosion inhibitor)
TVI
VPI 260
Diana
VP 1260
Dicyclohexylamine nitrous acid salt
NSC 49612
Nitrous acid compd. with dicyclohexylamine
Identifiers:
SMILES:
C1CCC(NC2CCCCC2)CC1.O=NO
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)
Key Properties
Melting Point
176-178 °C (decomp)
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 | 228.34 g/mol | CAS Common Chemistry |
| 228.33599999999996 g/mol | RDKit | |
| 228.183778008 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 |
| Molar Refractivity | 64.46320000000004 | RDKit |
