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Molecule
2-(Methylamino)Benzamide
CAS: 7505-81-9 · C8H10N2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7505-81-9
- Molecular Formula
- C8H10N2O
- Molecular Mass
- 150.18 g/mol
Identifiers
CAS Registry Number
7505-81-9
SMILES
CNc1ccccc1C(=N)O
InChI Key
KTDNXQLRLSPQOK-UHFFFAOYSA-N
InChI
InChI=1S/C8H10N2O/c1-10-7-5-3-2-4-6(7)8(9)11/h2-5,10H,1H3,(H2,9,11)
Names and Synonyms
- 2-(Methylamino)Benzamide Systematic Name
- Benzamide, 2-(methylamino)- Synonym
- Benzamide, o-(methylamino)- Synonym
- 2-(Methylamino)benzamide Synonym
- NSC 401247 Synonym
- 2-Carbamoyl-N-methylaniline Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 150.18 g/mol | CAS Common Chemistry |
| 150.18099999999998 g/mol | RDKit | |
| 150.181 g/mol | RDKit | |
| Canonical SMILES | O=C(N)C=1C=CC=CC1NC | CAS Common Chemistry |
| InChI | InChI=1S/C8H10N2O/c1-10-7-5-3-2-4-6(7)8(9)11/h2-5,10H,1H3,(H2,9,11) | CAS Common Chemistry |
| InChI Key | InChIKey=KTDNXQLRLSPQOK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 162 °C | CAS Common Chemistry |
| Name | 2-(Methylamino)benzamide | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 56.11 Ų | RDKit |
| LogP | 1.61167 | RDKit |
| 1.6117 | RDKit | |
| Molar Refractivity | 45.44620000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.125 | RDKit |
| 0.12 | chempirical lib | |
| Exact Mass | 150.07931294 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 150.18 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H10N2O.
