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Molecule
Hexadecylamine
CAS: 143-27-1 · C16H35N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 143-27-1
- Molecular Formula
- C16H35N
- Molecular Mass
- 241.46 g/mol
Identifiers
CAS Registry Number
143-27-1
SMILES
CCCCCCCCCCCCCCCCN
InChI Key
FJLUATLTXUNBOT-UHFFFAOYSA-N
InChI
InChI=1S/C16H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-17H2,1H3
Names and Synonyms
- Hexadecylamine Common Name
- 1-Hexadecanamine Synonym
- Hexadecylamine Synonym
- Alamine 6 Synonym
- Cetylamine Synonym
- n-Hexadecylamine Synonym
- Palmitylamine Synonym
- Armeen 16D Synonym
- n-Cetylamine Synonym
- Palmitamine Synonym
- 1-Hexadecylamine Synonym
- 1-Aminohexadecane Synonym
- Monohexadecylamine Synonym
- Alamine 6D Synonym
- Nissan Amine PB Synonym
- HDA Synonym
- Amine PB Synonym
- 1-Hexadecanylamine Synonym
- NSC 8489 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 241.46 g/mol | CAS Common Chemistry |
| 241.4629999999999 g/mol | RDKit | |
| 241.463 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 |
| 5.4264 | RDKit | |
| Molar Refractivity | 79.36640000000007 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 241.27695012 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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 = 241.46 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C16H35N.
