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N,N-Dimethylcyclohexylamine
CAS: 98-94-2 | C8H17N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
98-94-2
Molecular Formula:
C8H17N
Molecular Mass:
127.23 g/mol
Names and Synonyms:
N,N-Dimethylcyclohexylamine
Cyclohexanamine, N,N-dimethyl-
Cyclohexylamine, N,N-dimethyl-
N,N-Dimethylcyclohexanamine
Cyclohexyldimethylamine
(Dimethylamino)cyclohexane
N-Cyclohexyldimethylamine
Polycat 8
N,N-Dimethylaminocyclohexane
Toyocat DMCH
Wondamine DMCA
Wandamin DMCA
Niax C 8
PC CAT DMCHA
N,N-Dimethylcyclohexylamine
PC CAT NP 33R
Kaolizer 10
NSC 163904
PC 8
Kao 10
SFC
Jeffcat DMCHA
DMCHA
Y 12 (catalyst)
Y 12
Tegoamin DMCHA
KL 10
N-Cyclohexyl-N,N-dimethylamine
Lupragen N 100
DY 8
PC 8 catalyst
Dabco PC 8
Desmorapid 726B
Rubitherm LR 18412
Identifiers:
SMILES:
CN(C)C1CCCCC1
InChI:
InChI=1S/C8H17N/c1-9(2)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3
Key Properties
Boiling Point
162-165 °C
CAS Common Chemistry
Melting Point
-60 °C
CAS Common Chemistry
Density
0.85 g/cm³
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 | 127.23 g/mol | CAS Common Chemistry |
| 127.23100000000001 g/mol | RDKit | |
| 127.136099544 g/mol | RDKit | |
| Density | 0.85 g/cm³ | CAS Common Chemistry |
| 0.8490 g/cm3 @ Temp: 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 |
| LogP | 1.8806999999999998 | RDKit |
| Molar Refractivity | 40.56000000000001 | RDKit |
