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Diallylamine
CAS: 124-02-7 | C6H11N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
124-02-7
Molecular Formula:
C6H11N
Molecular Mass:
97.16 g/mol
Names and Synonyms:
Diallylamine
2-Propen-1-amine, N-2-propen-1-yl-
Diallylamine
2-Propen-1-amine, N-2-propenyl-
N-2-Propen-1-yl-2-propen-1-amine
Di-2-propenylamine
N-2-propenyl-2-propen-1-amine
NSC 20948
Bisallylamine
N,N-Bis(allyl)amine
Bis-allylamine
Identifiers:
SMILES:
C=CCNCC=C
InChI:
InChI=1S/C6H11N/c1-3-5-7-6-4-2/h3-4,7H,1-2,5-6H2
Key Properties
Boiling Point
111 °C
CAS Common Chemistry
Melting Point
-88.4 °C
CAS Common Chemistry
Density
0.79 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 | 97.16 g/mol | CAS Common Chemistry |
| 97.16099999999999 g/mol | RDKit | |
| 97.08914935199999 g/mol | RDKit | |
| Density | 0.79 g/cm³ | CAS Common Chemistry |
| 0.7889 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Diallylamine | CAS Common Chemistry |
| Boiling Point | 111 °C | CAS Common Chemistry |
| Canonical SMILES | C=CCNCC=C | CAS Common Chemistry |
| InChI | InChI=1S/C6H11N/c1-3-5-7-6-4-2/h3-4,7H,1-2,5-6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=DYUWTXWIYMHBQS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -88.4 °C | CAS Common Chemistry |
| Name | Diallylamine | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 0.948 | RDKit |
| Molar Refractivity | 33.26369999999999 | RDKit |
