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Dodecylamine
CAS: 124-22-1 | C12H27N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
124-22-1
Molecular Formula:
C12H27N
Molecular Mass:
185.35 g/mol
Names and Synonyms:
Dodecylamine
1-Dodecanamine
Dodecylamine
Laurylamine
Alamine 4
Armeen 12D
1-Aminododecane
n-Dodecylamine
Laurinamine
1-Dodecylamine
Nissan Amine BB
n-Laurylamine
Amine BB
Kemamine P 690
Monododecylamine
Farmin 20D
Lauramine
Monolaurylamine
HAN 12
Lipomin 12D
Adogen 163D
Identifiers:
SMILES:
CCCCCCCCCCCCN
InChI:
InChI=1S/C12H27N/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-13H2,1H3
Key Properties
Boiling Point
259 °C
CAS Common Chemistry
Melting Point
28.3 °C
CAS Common Chemistry
Density
0.80 g/cm³
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 | 185.35 g/mol | CAS Common Chemistry |
| 185.35499999999996 g/mol | RDKit | |
| 185.21434986399998 g/mol | RDKit | |
| Density | 0.80 g/cm³ | CAS Common Chemistry |
| 0.8015 g/cm3 @ Temp: 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 |
| Molar Refractivity | 60.89840000000005 | RDKit |
