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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 Weight:
137.22599999999997 g/mol
Names and Synonyms:
Triallylamine
N,N-Di-2-propenyl-2-propen-1-amine
Tris(2-propenyl)amine
N,N-Di-2-propen-1-yl-2-propen-1-amine
2-Propen-1-amine, N,N-di-2-propen-1-yl-
Triallylamine
NSC 32635
2-Propen-1-amine, N,N-di-2-propenyl-
Identifiers:
SMILES:
C=CCN(CC=C)CC=C
InChI:
InChI=1S/C9H15N/c1-4-7-10(8-5-2)9-6-3/h4-6H,1-3,7-9H2
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 137.22599999999997 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 137.12044948 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 6 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 3.24 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.8464 | RDKit |
| molecular_mass | 137.23 g/mol | Legacy Database |
| density | 0.81 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Triallylamine None | Legacy Database |
| cas-boiling-point | 155.5 °C None | Legacy Database |
| cas-canonical-smile | C=CCN(CC=C)CC=C None | Legacy Database |
| cas-density | 0.809 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C9H15N/c1-4-7-10(8-5-2)9-6-3/h4-6H,1-3,7-9H2 None | Legacy Database |
| cas-inchi-key | InChIKey=VPYJNCGUESNPMV-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | <-70 °C None | Legacy Database |
| cas-name | Triallylamine None | Legacy Database |
| wikipedia-name | Triallylamine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 47.03100000000003 | RDKit |
