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Diallylmethylamine
CAS: 2424-01-3 | C7H13N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2424-01-3
Molecular Formula:
C7H13N
Molecular Mass:
111.19 g/mol
Names and Synonyms:
Diallylmethylamine
2-Propen-1-amine, N-methyl-N-2-propen-1-yl-
Diallylamine, N-methyl-
2-Propen-1-amine, N-methyl-N-2-propenyl-
N-Methyl-N-2-propen-1-yl-2-propen-1-amine
Diallylmethylamine
N-Methyldiallylamine
Methyldiallylamine
N,N-Diallyl methylamine
Identifiers:
SMILES:
C=CCN(C)CC=C
InChI:
InChI=1S/C7H13N/c1-4-6-8(3)7-5-2/h4-5H,1-2,6-7H2,3H3
Key Properties
Boiling Point
112 °C
CAS Common Chemistry
Melting Point
112 °C
CAS Common Chemistry
Density
0.77 g/cm³
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 | 111.19 g/mol | CAS Common Chemistry |
| 111.18799999999999 g/mol | RDKit | |
| 111.10479941599999 g/mol | RDKit | |
| Density | 0.77 g/cm³ | CAS Common Chemistry |
| 0.771 g/cm3 @ Temp: 18 °C | CAS Common Chemistry | |
| Boiling Point | 112 °C | CAS Common Chemistry |
| Canonical SMILES | C=CCN(C)CC=C | CAS Common Chemistry |
| InChI | InChI=1S/C7H13N/c1-4-6-8(3)7-5-2/h4-5H,1-2,6-7H2,3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=WGESLFUSXZBFQF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 112 °C | CAS Common Chemistry |
| Name | Diallylmethylamine | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| LogP | 1.2902 | RDKit |
| Molar Refractivity | 37.891 | RDKit |
