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Tripentylamine
CAS: 621-77-2 | C15H33N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
621-77-2
Molecular Formula:
C15H33N
Molecular Mass:
227.44 g/mol
Names and Synonyms:
Tripentylamine
1-Pentanamine, N,N-dipentyl-
Tripentylamine
N,N-Dipentyl-1-pentanamine
Triamylamine
Tri-n-pentylamine
Tri-n-amylamine
NSC 406964
Identifiers:
SMILES:
CCCCCN(CCCCC)CCCCC
InChI:
InChI=1S/C15H33N/c1-4-7-10-13-16(14-11-8-5-2)15-12-9-6-3/h4-15H2,1-3H3
Key Properties
Boiling Point
242.5 °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 |
| 227.43599999999995 g/mol | RDKit | |
| 227.261300056 g/mol | RDKit | |
| Boiling Point | 242.5 °C | CAS Common Chemistry |
| Canonical SMILES | N(CCCCC)(CCCCC)CCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C15H33N/c1-4-7-10-13-16(14-11-8-5-2)15-12-9-6-3/h4-15H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=OOHAUGDGCWURIT-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Tripentylamine | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 12 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| LogP | 4.859000000000005 | RDKit |
| Molar Refractivity | 75.01500000000007 | RDKit |
