Back to Search
N-Cyclohexyl-1,3-Propanediamine
CAS: 3312-60-5 | C9H20N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3312-60-5
Molecular Formula:
C9H20N2
Molecular Mass:
156.27 g/mol
Names and Synonyms:
N-Cyclohexyl-1,3-Propanediamine
1,3-Propanediamine, N1-cyclohexyl-
1,3-Propanediamine, N-cyclohexyl-
N1-Cyclohexyl-1,3-propanediamine
N-Cyclohexyl-1,3-propylenediamine
1-(Cyclohexylamino)-3-aminopropane
N-(3-Aminopropyl)cyclohexylamine
N-Cyclohexyl-1,3-propanediamine
3-(Cyclohexylamino)-1-propylamine
N-Cyclohexyl-1,3-diaminopropane
3-Amino-1-(cyclohexylamino)propane
N-Cyclohexyltrimethylenediamine
Polycat 352
(Cyclohexylamino)propylamine
N-(3-Aminopropyl)cyclohexanamine
Laromin C 252
N-(3-Aminopropyl)-N-cyclohexylamine
3-(Cyclohexylamino)propylamine
NSC 87572
Baxxodur EC 252
EC 252
Identifiers:
SMILES:
NCCCNC1CCCCC1
InChI:
InChI=1S/C9H20N2/c10-7-4-8-11-9-5-2-1-3-6-9/h9,11H,1-8,10H2
Key Properties
Boiling Point
85-89 °C @ Press: 2 Torr
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 | 156.27 g/mol | CAS Common Chemistry |
| 156.27299999999994 g/mol | RDKit | |
| 156.16264864 g/mol | RDKit | |
| Boiling Point | 85-89 °C @ Press: 2 Torr | CAS Common Chemistry |
| Canonical SMILES | NCCCNC1CCCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C9H20N2/c10-7-4-8-11-9-5-2-1-3-6-9/h9,11H,1-8,10H2 | CAS Common Chemistry |
| InChI Key | InChIKey=ITZPOSYADVYECJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-Cyclohexyl-1,3-propanediamine | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 38.05 Ų | RDKit |
| LogP | 1.2574999999999996 | RDKit |
| Molar Refractivity | 48.54710000000003 | RDKit |
