Back to Search
N-Oleyl-1,3-Propanediamine
CAS: 7173-62-8 | C21H44N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7173-62-8
Molecular Formula:
C21H44N2
Molecular Mass:
324.60 g/mol
Names and Synonyms:
N-Oleyl-1,3-Propanediamine
1,3-Propanediamine, N1-(9Z)-9-octadecen-1-yl-
1,3-Propanediamine, N-9-octadecenyl-, (Z)-
1,3-Propanediamine, N-(9Z)-9-octadecenyl-
N1-(9Z)-9-Octadecen-1-yl-1,3-propanediamine
N-Oleyl-1,3-diaminopropane
N-Oleyl-1,3-propylenediamine
N-Oleyl-1,3-propanediamine
Adogen 572
Diam 11C
Oleylaminopropylamine
Oleyltrimethylenediamine
Dinoram O
Kemamine D 989
N-(3-Aminopropyl)oleylamine
N-Oleyltrimethylenediamine
N-(9-Octadecenyl)-1,3-propylenediamine
Lilamin 572
Diam 11
3-(Oleylamino)propylamine
Duomeen OL
Diamin OLB
Dicrodamine 1.0
Radiamine 6572
Duomeen OX
N-[cis-9-Octadecenyl]-1,3-propanediamine
N-(9Z-Octadecenyl)-1,3-propylenediamine
Identifiers:
SMILES:
CCCCCCCC/C=CCCCCCCCCNCCCN
InChI:
InChI=1S/C21H44N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22/h9-10,23H,2-8,11-22H2,1H3/b10-9-
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 | 324.60 g/mol | CAS Common Chemistry |
| 324.59700000000004 g/mol | RDKit | |
| 324.350449408 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/N-Oleyl-1,3-propanediamine | CAS Common Chemistry |
| Canonical SMILES | NCCCNCCCCCCCCC=CCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C21H44N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22/h9-10,23H,2-8,11-22H2,1H3/b10-9- | CAS Common Chemistry |
| InChI Key | InChIKey=TUFJPPAQOXUHRI-KTKRTIGZSA-N | CAS Common Chemistry |
| Name | N1-(9Z)-9-Octadecen-1-yl-1,3-propanediamine | CAS Common Chemistry |
| N-Oleyl-1,3-propanediamine | CAS Common Chemistry | |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 19 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 38.05 Ų | RDKit |
| LogP | 5.962300000000004 | RDKit |
| Molar Refractivity | 105.99310000000008 | RDKit |
