Back to Search
Molecule
Triallylamine
CAS: 102-70-5 · C9H15N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 102-70-5
- Molecular Formula
- C9H15N
- Molecular Mass
- 137.23 g/mol
Identifiers
CAS Registry Number
102-70-5
SMILES
C=CCN(CC=C)CC=C
InChI Key
VPYJNCGUESNPMV-UHFFFAOYSA-N
InChI
InChI=1S/C9H15N/c1-4-7-10(8-5-2)9-6-3/h4-6H,1-3,7-9H2
Names and Synonyms
- Triallylamine Common Name
- 2-Propen-1-amine, N,N-di-2-propen-1-yl- Synonym
- Triallylamine Synonym
- 2-Propen-1-amine, N,N-di-2-propenyl- Synonym
- N,N-Di-2-propen-1-yl-2-propen-1-amine Synonym
- Tris(2-propenyl)amine Synonym
- N,N-Di-2-propenyl-2-propen-1-amine Synonym
- NSC 32635 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 137.23 g/mol | CAS Common Chemistry |
| 137.22599999999997 g/mol | RDKit | |
| 137.226 g/mol | RDKit | |
| Density | 0.81 g/cm³ | CAS Common Chemistry |
| 0.809 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Triallylamine | CAS Common Chemistry |
| Boiling Point | 155.5 °C | CAS Common Chemistry |
| Canonical SMILES | C=CCN(CC=C)CC=C | CAS Common Chemistry |
| InChI | InChI=1S/C9H15N/c1-4-7-10(8-5-2)9-6-3/h4-6H,1-3,7-9H2 | CAS Common Chemistry |
| InChI Key | InChIKey=VPYJNCGUESNPMV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | <-70 °C | CAS Common Chemistry |
| Name | Triallylamine | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| 3.01 Ų | chempirical lib | |
| LogP | 1.8464 | RDKit |
| Molar Refractivity | 47.03100000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 137.12044948 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 = 137.23 g/mol; density = 0.810 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H15N.
