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Hexadecylamine
CAS: 143-27-1 | C16H35N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
143-27-1
Molecular Formula:
C16H35N
Molecular Mass:
241.46 g/mol
Names and Synonyms:
Hexadecylamine
1-Hexadecanamine
Hexadecylamine
Alamine 6
Cetylamine
n-Hexadecylamine
Palmitylamine
Armeen 16D
n-Cetylamine
Palmitamine
1-Hexadecylamine
1-Aminohexadecane
Monohexadecylamine
Alamine 6D
Nissan Amine PB
HDA
Amine PB
1-Hexadecanylamine
NSC 8489
Identifiers:
SMILES:
CCCCCCCCCCCCCCCCN
InChI:
InChI=1S/C16H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-17H2,1H3
Key Properties
Boiling Point
322.5 °C
CAS Common Chemistry
Melting Point
46.8 °C
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 | 241.46 g/mol | CAS Common Chemistry |
| 241.4629999999999 g/mol | RDKit | |
| 241.27695012 g/mol | RDKit | |
| Boiling Point | 322.5 °C | CAS Common Chemistry |
| Canonical SMILES | NCCCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C16H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-17H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FJLUATLTXUNBOT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 46.8 °C | CAS Common Chemistry |
| Name | Hexadecylamine | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 14 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 5.4264000000000046 | RDKit |
| Molar Refractivity | 79.36640000000007 | RDKit |
