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Molecule
Para-Dimethylaminobenzaldehyde
CAS: 100-10-7 · C9H11NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 100-10-7
- Molecular Formula
- C9H11NO
- Molecular Mass
- 149.19 g/mol
Identifiers
CAS Registry Number
100-10-7
SMILES
CN(C)c1ccc(C=O)cc1
InChI Key
BGNGWHSBYQYVRX-UHFFFAOYSA-N
InChI
InChI=1S/C9H11NO/c1-10(2)9-5-3-8(7-11)4-6-9/h3-7H,1-2H3
Names and Synonyms
- Para-Dimethylaminobenzaldehyde Common Name
- Benzaldehyde, 4-(dimethylamino)- Synonym
- Benzaldehyde, p-(dimethylamino)- Synonym
- 4-(Dimethylamino)benzaldehyde Synonym
- p-(Dimethylamino)benzaldehyde Synonym
- 4-(Dimethylamino)benzenecarbonal Synonym
- p-Formyldimethylaniline Synonym
- p-(N,N-Dimethylamino)benzaldehyde Synonym
- 4-(N,N-Dimethylamino)benzaldehyde Synonym
- p-Formyl-N,N-dimethylaniline Synonym
- N,N-Dimethyl-p-aminobenzaldehyde Synonym
- 4-Formyl-N,N-dimethylaniline Synonym
- N,N-Dimethyl-4-formylaniline Synonym
- N,N-Dimethyl-4-aminobenzaldehyde Synonym
- Named reagents and solutions, Ehrlich's Synonym
- p-DAB Synonym
- NSC 5517 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 149.19 g/mol | CAS Common Chemistry |
| 149.19299999999998 g/mol | RDKit | |
| 149.193 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Para-Dimethylaminobenzaldehyde | CAS Common Chemistry |
| Boiling Point | 176-177 °C | CAS Common Chemistry |
| Canonical SMILES | O=CC1=CC=C(C=C1)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H11NO/c1-10(2)9-5-3-8(7-11)4-6-9/h3-7H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=BGNGWHSBYQYVRX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 74.5 °C | CAS Common Chemistry |
| Name | 4-(Dimethylamino)benzaldehyde | CAS Common Chemistry |
| para-Dimethylaminobenzaldehyde | CAS Common Chemistry | |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 20.310000000000002 Ų | RDKit |
| 20.31 Ų | RDKit | |
| 20.08 Ų | chempirical lib | |
| LogP | 1.5651 | RDKit |
| 1.49 | chempirical lib | |
| Molar Refractivity | 46.15650000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2222 | RDKit |
| 0.22 | chempirical lib | |
| Exact Mass | 149.084063972 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
100
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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 = 149.19 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H11NO.
