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Molecule
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
Identifiers
CAS Registry Number
324763-51-1
SMILES
CC(C)(CN)C(=N)O
InChI Key
HKQZJXVIXAPOPZ-UHFFFAOYSA-N
InChI
InChI=1S/C5H12N2O/c1-5(2,3-6)4(7)8/h3,6H2,1-2H3,(H2,7,8)
Names and Synonyms
- 3-Amino-2,2-Dimethylpropanamide Systematic Name
- Propanamide, 3-amino-2,2-dimethyl- Synonym
- 3-Amino-2,2-dimethylpropanamide Synonym
- 3-Amino-2,2-dimethylpropionamide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 116.16 g/mol | CAS Common Chemistry |
| 116.16399999999999 g/mol | RDKit | |
| 116.164 g/mol | RDKit | |
| 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 |
| 70.1 Ų | RDKit | |
| LogP | 0.5065700000000001 | RDKit |
| 0.5066 | RDKit | |
| Molar Refractivity | 33.19089999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 116.094963004 g/mol | RDKit |
| Boiling Point | 145 °C @ 15 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
External Resources
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MW = 116.16 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H12N2O.
