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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
Names and Synonyms:
Pentadecylamine
1-Pentadecanamine
Pentadecylamine
n-Pentadecylamine
1-Pentadecylamine
Monopentadecylamine
1-Aminopentadecane
Identifiers:
SMILES:
CCCCCCCCCCCCCCCN
InChI:
InChI=1S/C15H33N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h2-16H2,1H3
Key Properties
Boiling Point
307.6 °C
CAS Common Chemistry
Melting Point
37.3 °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 | 227.44 g/mol | CAS Common Chemistry |
| 227.43599999999992 g/mol | RDKit | |
| 227.261300056 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 |
| Molar Refractivity | 74.74940000000007 | RDKit |
