Back to Search
3-Amino-2,2-Dimethylpropanamide
CAS: 324763-51-1 | C5H12N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
324763-51-1
Molecular Formula:
C5H12N2O
Molecular Mass:
116.16 g/mol
Names and Synonyms:
3-Amino-2,2-Dimethylpropanamide
Propanamide, 3-amino-2,2-dimethyl-
3-Amino-2,2-dimethylpropanamide
3-Amino-2,2-dimethylpropionamide
Identifiers:
SMILES:
CC(C)(CN)C(=N)O
InChI:
InChI=1S/C5H12N2O/c1-5(2,3-6)4(7)8/h3,6H2,1-2H3,(H2,7,8)
Key Properties
Boiling Point
145 °C @ Press: 15 Torr
CAS Common Chemistry
Melting Point
74-75 °C
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 | 116.16 g/mol | CAS Common Chemistry |
| 116.16399999999999 g/mol | RDKit | |
| 116.094963004 g/mol | RDKit | |
| Boiling Point | 145 °C @ Press: 15 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(N)C(C)(C)CN | CAS Common Chemistry |
| InChI | InChI=1S/C5H12N2O/c1-5(2,3-6)4(7)8/h3,6H2,1-2H3,(H2,7,8) | CAS Common Chemistry |
| InChI Key | InChIKey=HKQZJXVIXAPOPZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 74-75 °C | CAS Common Chemistry |
| Name | 3-Amino-2,2-dimethylpropanamide | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 70.10000000000001 Ų | RDKit |
| LogP | 0.5065700000000001 | RDKit |
| Molar Refractivity | 33.19089999999999 | RDKit |
