Back to Search
Molecule
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
Identifiers
CAS Registry Number
621-77-2
SMILES
CCCCCN(CCCCC)CCCCC
InChI Key
OOHAUGDGCWURIT-UHFFFAOYSA-N
InChI
InChI=1S/C15H33N/c1-4-7-10-13-16(14-11-8-5-2)15-12-9-6-3/h4-15H2,1-3H3
Names and Synonyms
- Tripentylamine Synonym
- 1-Pentanamine, N,N-dipentyl- Synonym
- Tripentylamine Synonym
- N,N-Dipentyl-1-pentanamine Synonym
- Triamylamine Synonym
- Tri-n-pentylamine Synonym
- Tri-n-amylamine Synonym
- NSC 406964 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 227.44 g/mol | CAS Common Chemistry |
| 227.43599999999995 g/mol | RDKit | |
| 227.436 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 |
| 3.01 Ų | chempirical lib | |
| LogP | 4.859000000000005 | RDKit |
| 4.859 | RDKit | |
| Molar Refractivity | 75.01500000000007 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
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
Convert
Quick conversion
MW = 227.44 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C15H33N.
