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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
Names and Synonyms:
Para-Dimethylaminobenzaldehyde
Benzaldehyde, 4-(dimethylamino)-
Benzaldehyde, p-(dimethylamino)-
4-(Dimethylamino)benzaldehyde
p-(Dimethylamino)benzaldehyde
4-(Dimethylamino)benzenecarbonal
p-Formyldimethylaniline
p-(N,N-Dimethylamino)benzaldehyde
4-(N,N-Dimethylamino)benzaldehyde
p-Formyl-N,N-dimethylaniline
N,N-Dimethyl-p-aminobenzaldehyde
4-Formyl-N,N-dimethylaniline
N,N-Dimethyl-4-formylaniline
N,N-Dimethyl-4-aminobenzaldehyde
Named reagents and solutions, Ehrlich's
p-DAB
NSC 5517
Identifiers:
SMILES:
CN(C)c1ccc(C=O)cc1
InChI:
InChI=1S/C9H11NO/c1-10(2)9-5-3-8(7-11)4-6-9/h3-7H,1-2H3
Key Properties
Boiling Point
176-177 °C
CAS Common Chemistry
Melting Point
74.5 °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 | 149.19 g/mol | CAS Common Chemistry |
| 149.19299999999998 g/mol | RDKit | |
| 149.084063972 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 |
| LogP | 1.5651 | RDKit |
| Molar Refractivity | 46.15650000000002 | RDKit |
