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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
Names and Synonyms:
Tridecanamine
1-Tridecanamine
Tridecylamine
n-Tridecylamine
1-Tridecylamine
Tridecanamine
Monotridecylamine
1-Aminotridecane
Identifiers:
SMILES:
CCCCCCCCCCCCCN
InChI:
InChI=1S/C13H29N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2-14H2,1H3
Key Properties
Boiling Point
275.8 °C
CAS Common Chemistry
Melting Point
27.4 °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 | 199.38 g/mol | CAS Common Chemistry |
| 199.38199999999995 g/mol | RDKit | |
| 199.22999992799998 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 |
| Molar Refractivity | 65.51540000000006 | RDKit |
