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N,N-Bis(3-Aminopropyl)Dodecylamine
CAS: 2372-82-9 | C18H41N3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2372-82-9
Molecular Formula:
C18H41N3
Molecular Mass:
299.55 g/mol
Names and Synonyms:
N,N-Bis(3-Aminopropyl)Dodecylamine
1,3-Propanediamine, N1-(3-aminopropyl)-N1-dodecyl-
Dodecylamine, N,N-bis(3-aminopropyl)-
1,3-Propanediamine, N-(3-aminopropyl)-N-dodecyl-
N1-(3-Aminopropyl)-N1-dodecyl-1,3-propanediamine
RC 5637
N,N-Bis(3-aminopropyl)laurylamine
Lonzabac 12
Lonzabac 1230
Triameen Y 12
Lonzabac 12.100
N,N-Bis(3-aminopropyl)dodecylamine
Triameen Y 12D
Triamine Y 12D
Mistral
Lonzabac 12.30
Grotan BA 21
Bis(3-aminopropyl)dodecylamine
Identifiers:
SMILES:
CCCCCCCCCCCCN(CCCN)CCCN
InChI:
InChI=1S/C18H41N3/c1-2-3-4-5-6-7-8-9-10-11-16-21(17-12-14-19)18-13-15-20/h2-20H2,1H3
Key Properties
Boiling Point
182-184 °C @ Press: 1 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
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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 | 299.55 g/mol | CAS Common Chemistry |
| 299.547 g/mol | RDKit | |
| 299.33004831200003 g/mol | RDKit | |
| Boiling Point | 182-184 °C @ Press: 1 Torr | CAS Common Chemistry |
| Canonical SMILES | NCCCN(CCCN)CCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C18H41N3/c1-2-3-4-5-6-7-8-9-10-11-16-21(17-12-14-19)18-13-15-20/h2-20H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NYNKJVPRTLBJNQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N,N-Bis(3-aminopropyl)dodecylamine | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 17 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 55.28 Ų | RDKit |
| LogP | 3.906900000000001 | RDKit |
| Molar Refractivity | 95.62680000000007 | RDKit |
