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Methyldicyclohexylamine
CAS: 7560-83-0 | C13H25N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7560-83-0
Molecular Formula:
C13H25N
Molecular Mass:
195.35 g/mol
Names and Synonyms:
Methyldicyclohexylamine
Cyclohexanamine, N-cyclohexyl-N-methyl-
Dicyclohexylamine, N-methyl-
N-Cyclohexyl-N-methylcyclohexanamine
N-Methyldicyclohexylamine
N,N-Dicyclohexylmethylamine
Methyldicyclohexylamine
NSC 133262
NSC 166513
Dicyclohexyl(methyl)amine
N,N-Dicyclohexyl-N-methylamine
PC 12
D 0820
N,N′-Dicyclohexylmethylamine
PC CAT NP 112
Identifiers:
SMILES:
CN(C1CCCCC1)C1CCCCC1
InChI:
InChI=1S/C13H25N/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h12-13H,2-11H2,1H3
Key Properties
Boiling Point
265 °C
CAS Common Chemistry
Melting Point
193-194 °C
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 | 195.35 g/mol | CAS Common Chemistry |
| 195.34999999999994 g/mol | RDKit | |
| 195.19869979999999 g/mol | RDKit | |
| Boiling Point | 265 °C | CAS Common Chemistry |
| Canonical SMILES | N(C)(C1CCCCC1)C2CCCCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C13H25N/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h12-13H,2-11H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GSCCALZHGUWNJW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 193-194 °C | CAS Common Chemistry |
| Name | Methyldicyclohexylamine | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| LogP | 3.5836000000000023 | RDKit |
| Molar Refractivity | 61.50900000000006 | RDKit |
