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Molecule
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
Identifiers
CAS Registry Number
2372-82-9
SMILES
CCCCCCCCCCCCN(CCCN)CCCN
InChI Key
NYNKJVPRTLBJNQ-UHFFFAOYSA-N
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
Names and Synonyms
- N,N-Bis(3-Aminopropyl)Dodecylamine Systematic Name
- 1,3-Propanediamine, N1-(3-aminopropyl)-N1-dodecyl- Synonym
- Dodecylamine, N,N-bis(3-aminopropyl)- Synonym
- 1,3-Propanediamine, N-(3-aminopropyl)-N-dodecyl- Synonym
- N1-(3-Aminopropyl)-N1-dodecyl-1,3-propanediamine Synonym
- RC 5637 Synonym
- N,N-Bis(3-aminopropyl)laurylamine Synonym
- Lonzabac 12 Synonym
- Lonzabac 1230 Synonym
- Triameen Y 12 Synonym
- Lonzabac 12.100 Synonym
- N,N-Bis(3-aminopropyl)dodecylamine Synonym
- Triameen Y 12D Synonym
- Triamine Y 12D Synonym
- Mistral Synonym
- Lonzabac 12.30 Synonym
- Grotan BA 21 Synonym
- Bis(3-aminopropyl)dodecylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 299.55 g/mol | CAS Common Chemistry |
| 299.547 g/mol | RDKit | |
| 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 |
| 55.05 Ų | chempirical lib | |
| LogP | 3.906900000000001 | RDKit |
| 3.9069 | RDKit | |
| Molar Refractivity | 95.62680000000007 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 299.33004831200003 g/mol | RDKit |
| Boiling Point | 182-184 °C @ 1 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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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 = 299.55 g/mol. Edit any field — others recompute live.
