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Molecule
Dodecylamine
CAS: 124-22-1 · C12H27N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 124-22-1
- Molecular Formula
- C12H27N
- Molecular Mass
- 185.35 g/mol
Identifiers
CAS Registry Number
124-22-1
SMILES
CCCCCCCCCCCCN
InChI Key
JRBPAEWTRLWTQC-UHFFFAOYSA-N
InChI
InChI=1S/C12H27N/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-13H2,1H3
Names and Synonyms
- Dodecylamine Common Name
- 1-Dodecanamine Synonym
- Dodecylamine Synonym
- Laurylamine Synonym
- Alamine 4 Synonym
- Armeen 12D Synonym
- 1-Aminododecane Synonym
- n-Dodecylamine Synonym
- Laurinamine Synonym
- 1-Dodecylamine Synonym
- Nissan Amine BB Synonym
- n-Laurylamine Synonym
- Amine BB Synonym
- Kemamine P 690 Synonym
- Monododecylamine Synonym
- Farmin 20D Synonym
- Lauramine Synonym
- Monolaurylamine Synonym
- HAN 12 Synonym
- Lipomin 12D Synonym
- Adogen 163D Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 185.35 g/mol | CAS Common Chemistry |
| 185.35499999999996 g/mol | RDKit | |
| 185.355 g/mol | RDKit | |
| Density | 0.80 g/cm³ | CAS Common Chemistry |
| 0.8015 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 259 °C | CAS Common Chemistry |
| Canonical SMILES | NCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C12H27N/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-13H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JRBPAEWTRLWTQC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 28.3 °C | CAS Common Chemistry |
| Name | Dodecylamine | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 10 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 3.8660000000000023 | RDKit |
| 3.866 | RDKit | |
| Molar Refractivity | 60.89840000000005 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 185.21434986399998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
External Resources
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MW = 185.35 g/mol; density = 0.800 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H27N.
