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N-Dodecyl-1,3-Propanediamine
CAS: 5538-95-4 | C15H34N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5538-95-4
Molecular Formula:
C15H34N2
Molecular Mass:
242.45 g/mol
Names and Synonyms:
N-Dodecyl-1,3-Propanediamine
1,3-Propanediamine, N1-dodecyl-
1,3-Propanediamine, N-dodecyl-
N1-Dodecyl-1,3-propanediamine
RC 5635
N-Lauryltrimethylenediamine
N-Dodecyl-1,3-propanediamine
N-Dodecyl-1,3-trimethylenediamine
N-Dodecyltrimethylenediamine
N-(3-Aminopropyl)dodecylamine
Diam 21
Laurylaminopropylamine
3-(Dodecylamino)-1-propanamine
Dicrodamine 1.12
3-(Dodecylamino)propylamine
N-Lauryl-1,3-diaminopropane
N-Dodecyl-1,3-diaminopropane
3-(Laurylamino)propylamine
Genamin LAP 100D
Genamin LAP 100
NSC 28753
NSC 40165
N-Dodecyl-1,3-propylenediamine
Identifiers:
SMILES:
CCCCCCCCCCCCNCCCN
InChI:
InChI=1S/C15H34N2/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16/h17H,2-16H2,1H3
Key Properties
Boiling Point
137-141 °C @ Press: 1 Torr
CAS Common Chemistry
Melting Point
24.5-25.5 °C
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 | 242.45 g/mol | CAS Common Chemistry |
| 242.45099999999994 g/mol | RDKit | |
| 242.272199088 g/mol | RDKit | |
| Boiling Point | 137-141 °C @ Press: 1 Torr | CAS Common Chemistry |
| Canonical SMILES | NCCCNCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C15H34N2/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16/h17H,2-16H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=XMMDVXFQGOEOKH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 24.5-25.5 °C | CAS Common Chemistry |
| Name | N-Dodecyl-1,3-propanediamine | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 14 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 38.05 Ų | RDKit |
| LogP | 3.8457000000000017 | RDKit |
| Molar Refractivity | 78.38510000000007 | RDKit |
