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Molecule
N-Oleyl-1,3-Propanediamine
CAS: 7173-62-8 · C21H44N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7173-62-8
- Molecular Formula
- C21H44N2
- Molecular Mass
- 324.60 g/mol
Identifiers
CAS Registry Number
7173-62-8
SMILES
CCCCCCCC/C=CCCCCCCCCNCCCN
InChI Key
TUFJPPAQOXUHRI-KTKRTIGZSA-N
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-
Names and Synonyms
- N-Oleyl-1,3-Propanediamine Synonym
- 1,3-Propanediamine, N1-(9Z)-9-octadecen-1-yl- Synonym
- 1,3-Propanediamine, N-9-octadecenyl-, (Z)- Synonym
- 1,3-Propanediamine, N-(9Z)-9-octadecenyl- Synonym
- N1-(9Z)-9-Octadecen-1-yl-1,3-propanediamine Synonym
- N-Oleyl-1,3-diaminopropane Synonym
- N-Oleyl-1,3-propylenediamine Synonym
- N-Oleyl-1,3-propanediamine Synonym
- Adogen 572 Synonym
- Diam 11C Synonym
- Oleylaminopropylamine Synonym
- Oleyltrimethylenediamine Synonym
- Dinoram O Synonym
- Kemamine D 989 Synonym
- N-(3-Aminopropyl)oleylamine Synonym
- N-Oleyltrimethylenediamine Synonym
- N-(9-Octadecenyl)-1,3-propylenediamine Synonym
- Lilamin 572 Synonym
- Diam 11 Synonym
- 3-(Oleylamino)propylamine Synonym
- Duomeen OL Synonym
- Diamin OLB Synonym
- Dicrodamine 1.0 Synonym
- Radiamine 6572 Synonym
- Duomeen OX Synonym
- N-[cis-9-Octadecenyl]-1,3-propanediamine Synonym
- N-(9Z-Octadecenyl)-1,3-propylenediamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 324.60 g/mol | CAS Common Chemistry |
| 324.59700000000004 g/mol | RDKit | |
| 324.597 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 |
| 5.9623 | RDKit | |
| Molar Refractivity | 105.99310000000008 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9048 | RDKit |
| 0.9 | chempirical lib | |
| Exact Mass | 324.350449408 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
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MW = 324.60 g/mol. Edit any field — others recompute live.
