Back to Search
Octadecylamine
CAS: 124-30-1 | C18H39N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
124-30-1
Molecular Formula:
C18H39N
Molecular Mass:
269.52 g/mol
Names and Synonyms:
Octadecylamine
1-Octadecanamine
Octadecylamine
Adogenen 142
Alamine 7
n-Octadecylamine
Stearylamine
n-Stearylamine
Alamine 7D
1-Octadecylamine
Kemamine P 990
1-Aminooctadecane
Armofilm
Armeen 18D
Nissan Amine AB
Stearamine
Crodamine 1.18D
Amine AB
Monooctadecylamine
Farmin 80
Armeen 18
ODA
Genamin SH 100
Kemamine P 990D
Amine 18D
Armeen 18D-FLK
NSC 9857
18D
Lipomin 18D
Farmin 80S
Farmin 86V
Farmin 80V
Lipomin HTD
Identifiers:
SMILES:
CCCCCCCCCCCCCCCCCCN
InChI:
InChI=1S/C18H39N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-19H2,1H3
Key Properties
Boiling Point
346.8 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
52.9 °C
CAS Common Chemistry
Density
0.86 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 | 269.52 g/mol | CAS Common Chemistry |
| 269.5169999999999 g/mol | RDKit | |
| 269.308250248 g/mol | RDKit | |
| Density | 0.86 g/cm³ | CAS Common Chemistry |
| 0.8618 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 346.8 °C @ Press: 760 Torr | CAS Common Chemistry |
| Canonical SMILES | NCCCCCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C18H39N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-19H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=REYJJPSVUYRZGE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 52.9 °C | CAS Common Chemistry |
| Name | Octadecylamine | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 16 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 6.206600000000005 | RDKit |
| Molar Refractivity | 88.60040000000008 | RDKit |
