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Molecule
N,N-Dimethylcyclohexylamine
CAS: 98-94-2 · C8H17N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 98-94-2
- Molecular Formula
- C8H17N
- Molecular Mass
- 127.23 g/mol
Identifiers
CAS Registry Number
98-94-2
SMILES
CN(C)C1CCCCC1
InChI Key
SVYKKECYCPFKGB-UHFFFAOYSA-N
InChI
InChI=1S/C8H17N/c1-9(2)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3
Names and Synonyms
- N,N-Dimethylcyclohexylamine Synonym
- Cyclohexanamine, N,N-dimethyl- Synonym
- Cyclohexylamine, N,N-dimethyl- Synonym
- N,N-Dimethylcyclohexanamine Synonym
- Cyclohexyldimethylamine Synonym
- (Dimethylamino)cyclohexane Synonym
- N-Cyclohexyldimethylamine Synonym
- Polycat 8 Synonym
- N,N-Dimethylaminocyclohexane Synonym
- Toyocat DMCH Synonym
- Wondamine DMCA Synonym
- Wandamin DMCA Synonym
- Niax C 8 Synonym
- PC CAT DMCHA Synonym
- N,N-Dimethylcyclohexylamine Synonym
- PC CAT NP 33R Synonym
- Kaolizer 10 Synonym
- NSC 163904 Synonym
- PC 8 Synonym
- Kao 10 Synonym
- SFC Synonym
- Jeffcat DMCHA Synonym
- DMCHA Synonym
- Y 12 (catalyst) Synonym
- Y 12 Synonym
- Tegoamin DMCHA Synonym
- KL 10 Synonym
- N-Cyclohexyl-N,N-dimethylamine Synonym
- Lupragen N 100 Synonym
- DY 8 Synonym
- PC 8 catalyst Synonym
- Dabco PC 8 Synonym
- Desmorapid 726B Synonym
- Rubitherm LR 18412 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 127.23 g/mol | CAS Common Chemistry |
| 127.23100000000001 g/mol | RDKit | |
| 127.231 g/mol | RDKit | |
| Density | 0.85 g/cm³ | CAS Common Chemistry |
| 0.8490 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 162-165 °C | CAS Common Chemistry |
| Canonical SMILES | N(C)(C)C1CCCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C8H17N/c1-9(2)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SVYKKECYCPFKGB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -60 °C | CAS Common Chemistry |
| Name | N,N-Dimethylcyclohexylamine | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| 3.01 Ų | chempirical lib | |
| LogP | 1.8806999999999998 | RDKit |
| 1.8807 | RDKit | |
| Molar Refractivity | 40.56000000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 127.136099544 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 127.23 g/mol; density = 0.850 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H17N.
