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Molecule
Tridecanamine
CAS: 2869-34-3 · C13H29N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2869-34-3
- Molecular Formula
- C13H29N
- Molecular Mass
- 199.38 g/mol
Identifiers
CAS Registry Number
2869-34-3
SMILES
CCCCCCCCCCCCCN
InChI Key
ABVVEAHYODGCLZ-UHFFFAOYSA-N
InChI
InChI=1S/C13H29N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2-14H2,1H3
Names and Synonyms
- Tridecanamine Common Name
- 1-Tridecanamine Synonym
- Tridecylamine Synonym
- n-Tridecylamine Synonym
- 1-Tridecylamine Synonym
- Tridecanamine Synonym
- Monotridecylamine Synonym
- 1-Aminotridecane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 199.38 g/mol | CAS Common Chemistry |
| 199.38199999999995 g/mol | RDKit | |
| 199.382 g/mol | RDKit | |
| Boiling Point | 275.8 °C | CAS Common Chemistry |
| Canonical SMILES | NCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C13H29N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2-14H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ABVVEAHYODGCLZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 27.4 °C | CAS Common Chemistry |
| Name | Tridecanamine | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 11 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 4.256100000000003 | RDKit |
| 4.2561 | RDKit | |
| Molar Refractivity | 65.51540000000006 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 199.22999992799998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 199.38 g/mol. Edit any field — others recompute live.
