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Dicyclohexylamine
CAS: 101-83-7 | C12H23N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
101-83-7
Molecular Formula:
C12H23N
Molecular Mass:
181.32 g/mol
Names and Synonyms:
Dicyclohexylamine
Cyclohexanamine, N-cyclohexyl-
Dicyclohexylamine
N-Cyclohexylcyclohexanamine
Dodecahydrodiphenylamine
N,N-Dicyclohexylamine
Aminodicyclohexane
Bis(cyclohexyl)amine
NSC 3399
D-CHA-T
Identifiers:
SMILES:
C1CCC(NC2CCCCC2)CC1
InChI:
InChI=1S/C12H23N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11-13H,1-10H2
Key Properties
Boiling Point
255.8 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
-0.1 °C
CAS Common Chemistry
Density
0.91 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 | 181.32 g/mol | CAS Common Chemistry |
| 181.32299999999995 g/mol | RDKit | |
| 181.183049736 g/mol | RDKit | |
| Density | 0.91 g/cm³ | CAS Common Chemistry |
| 0.9104 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Dicyclohexylamine | CAS Common Chemistry |
| Boiling Point | 255.8 °C @ Press: 760 Torr | CAS Common Chemistry |
| Canonical SMILES | N(C1CCCCC1)C2CCCCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H23N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11-13H,1-10H2 | CAS Common Chemistry |
| InChI Key | InChIKey=XBPCUCUWBYBCDP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -0.1 °C | CAS Common Chemistry |
| Name | Dicyclohexylamine | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 3.2414000000000023 | RDKit |
| Molar Refractivity | 56.881700000000045 | RDKit |
