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N,N-Dimethylallylamine
CAS: 2155-94-4 | C5H11N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2155-94-4
Molecular Formula:
C5H11N
Molecular Weight:
85.14999999999999 g/mol
Names and Synonyms:
N,N-Dimethylallylamine
Synonym
2-Propen-1-amine, N,N-dimethyl-
Synonym
Allylamine, N,N-dimethyl-
Synonym
N,N-Dimethyl-2-propen-1-amine
Synonym
Dimethylallylamine
Synonym
N,N-Dimethylallylamine
Synonym
Allyldimethylamine
Synonym
N-Allyl-N,N-dimethylamine
Synonym
N,N-Dimethyl-2-propenylamine
Synonym
NSC 32615
Synonym
3-(Dimethylamino)-1-propene
Synonym
AC 407980050
Synonym
Identifiers:
SMILES:
C=CCN(C)C
InChI:
InChI=1S/C5H11N/c1-4-5-6(2)3/h4H,1,5H2,2-3H3
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 | 85.14999999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 85.08914935199999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 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 | 0.734 | RDKit |
| molecular_mass | 85.15 g/mol | Legacy Database |
| density | 0.71 g/cm³ | Legacy Database |
| cas-boiling-point | 64 °C None | Legacy Database |
| cas-canonical-smile | C=CCN(C)C None | Legacy Database |
| cas-density | 0.7094 g/cm3 @ Temp: 25 °C None | Legacy Database |
| cas-inchi | InChI=1S/C5H11N/c1-4-5-6(2)3/h4H,1,5H2,2-3H3 None | Legacy Database |
| cas-inchi-key | InChIKey=GBCKRQRXNXQQPW-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 59-63 °C None | Legacy Database |
| cas-name | N,N-Dimethylallylamine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 28.750999999999987 | RDKit |