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Molecule
Pentadecylamine
CAS: 2570-26-5 · C15H33N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2570-26-5
- Molecular Formula
- C15H33N
- Molecular Mass
- 227.44 g/mol
Identifiers
CAS Registry Number
2570-26-5
SMILES
CCCCCCCCCCCCCCCN
InChI Key
JPZYXGPCHFZBHO-UHFFFAOYSA-N
InChI
InChI=1S/C15H33N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h2-16H2,1H3
Names and Synonyms
- Pentadecylamine Synonym
- 1-Pentadecanamine Synonym
- Pentadecylamine Synonym
- n-Pentadecylamine Synonym
- 1-Pentadecylamine Synonym
- Monopentadecylamine Synonym
- 1-Aminopentadecane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 227.44 g/mol | CAS Common Chemistry |
| 227.43599999999992 g/mol | RDKit | |
| 227.436 g/mol | RDKit | |
| Boiling Point | 307.6 °C | CAS Common Chemistry |
| Canonical SMILES | NCCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C15H33N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h2-16H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JPZYXGPCHFZBHO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 37.3 °C | CAS Common Chemistry |
| Name | Pentadecylamine | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 13 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 5.036300000000004 | RDKit |
| 5.0363 | RDKit | |
| Molar Refractivity | 74.74940000000007 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 227.261300056 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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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 = 227.44 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C15H33N.
