Back to Search
Molecule
2-Aminobenzaldehyde
CAS: 529-23-7 · C7H7NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 529-23-7
- Molecular Formula
- C7H7NO
- Molecular Mass
- 121.14 g/mol
Identifiers
CAS Registry Number
529-23-7
SMILES
Nc1ccccc1C=O
InChI Key
FXWFZIRWWNPPOV-UHFFFAOYSA-N
InChI
InChI=1S/C7H7NO/c8-7-4-2-1-3-6(7)5-9/h1-5H,8H2
Names and Synonyms
- 2-Aminobenzaldehyde Synonym
- Benzaldehyde, 2-amino- Synonym
- Anthranilaldehyde Synonym
- 2-Aminobenzaldehyde Synonym
- o-Aminobenzaldehyde Synonym
- 2-Formylaniline Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 121.14 g/mol | CAS Common Chemistry |
| 121.13899999999998 g/mol | RDKit | |
| 121.139 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2-Aminobenzaldehyde | CAS Common Chemistry |
| Boiling Point | 82.5 °C | CAS Common Chemistry |
| Canonical SMILES | O=CC=1C=CC=CC1N | CAS Common Chemistry |
| InChI | InChI=1S/C7H7NO/c8-7-4-2-1-3-6(7)5-9/h1-5H,8H2 | CAS Common Chemistry |
| InChI Key | InChIKey=FXWFZIRWWNPPOV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 39 °C | CAS Common Chemistry |
| Name | 2-Aminobenzaldehyde | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 43.09 Ų | RDKit |
| LogP | 1.0813000000000001 | RDKit |
| 1.0813 | RDKit | |
| Molar Refractivity | 36.241900000000015 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 121.052763844 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
Convert
Quick conversion
MW = 121.14 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H7NO.
