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Molecule
N-Dodecyl-1,3-Propanediamine
CAS: 5538-95-4 · C15H34N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 5538-95-4
- Molecular Formula
- C15H34N2
- Molecular Mass
- 242.45 g/mol
Identifiers
CAS Registry Number
5538-95-4
SMILES
CCCCCCCCCCCCNCCCN
InChI Key
XMMDVXFQGOEOKH-UHFFFAOYSA-N
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
Names and Synonyms
- N-Dodecyl-1,3-Propanediamine Systematic Name
- 1,3-Propanediamine, N1-dodecyl- Synonym
- 1,3-Propanediamine, N-dodecyl- Synonym
- N1-Dodecyl-1,3-propanediamine Synonym
- RC 5635 Synonym
- N-Lauryltrimethylenediamine Synonym
- N-Dodecyl-1,3-propanediamine Synonym
- N-Dodecyl-1,3-trimethylenediamine Synonym
- N-Dodecyltrimethylenediamine Synonym
- N-(3-Aminopropyl)dodecylamine Synonym
- Diam 21 Synonym
- Laurylaminopropylamine Synonym
- 3-(Dodecylamino)-1-propanamine Synonym
- Dicrodamine 1.12 Synonym
- 3-(Dodecylamino)propylamine Synonym
- N-Lauryl-1,3-diaminopropane Synonym
- N-Dodecyl-1,3-diaminopropane Synonym
- 3-(Laurylamino)propylamine Synonym
- Genamin LAP 100D Synonym
- Genamin LAP 100 Synonym
- NSC 28753 Synonym
- NSC 40165 Synonym
- N-Dodecyl-1,3-propylenediamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 242.45 g/mol | CAS Common Chemistry |
| 242.45099999999994 g/mol | RDKit | |
| 242.451 g/mol | RDKit | |
| 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 |
| 3.8457 | RDKit | |
| Molar Refractivity | 78.38510000000007 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 242.272199088 g/mol | RDKit |
| Boiling Point | 137-141 °C @ 1 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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 = 242.45 g/mol. Edit any field — others recompute live.
