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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 Weight:
149.19299999999998 g/mol
Names and Synonyms:
Para-Dimethylaminobenzaldehyde
N,N-Dimethyl-4-aminobenzaldehyde
p-Formyl-N,N-dimethylaniline
Benzaldehyde, p-(dimethylamino)-
N,N-Dimethyl-p-aminobenzaldehyde
p-Formyldimethylaniline
4-(Dimethylamino)benzaldehyde
NSC 5517
4-(N,N-Dimethylamino)benzaldehyde
4-(Dimethylamino)benzenecarbonal
p-DAB
Named reagents and solutions, Ehrlich's
N,N-Dimethyl-4-formylaniline
4-Formyl-N,N-dimethylaniline
p-(N,N-Dimethylamino)benzaldehyde
p-(Dimethylamino)benzaldehyde
Benzaldehyde, 4-(dimethylamino)-
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
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 |
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200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
Shift (ppm) | DEPT | Assignment |
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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
Physical Properties
Property | Value | Source |
---|---|---|
molecular_mass | 149.19 g/mol | Legacy Database |
wikipedia_url | https://en.wikipedia.org/wiki/Para-Dimethylaminobenzaldehyde None | Legacy Database |
cas-boiling-point | 176-177 °C None | Legacy Database |
cas-canonical-smile | O=CC1=CC=C(C=C1)N(C)C None | Legacy Database |
cas-inchi | InChI=1S/C9H11NO/c1-10(2)9-5-3-8(7-11)4-6-9/h3-7H,1-2H3 None | Legacy Database |
cas-inchi-key | InChIKey=BGNGWHSBYQYVRX-UHFFFAOYSA-N None | Legacy Database |
cas-melting-point | 74.5 °C None | Legacy Database |
cas-name | 4-(Dimethylamino)benzaldehyde None | Legacy Database |
wikipedia-name | para-Dimethylaminobenzaldehyde None | Legacy Database |
LogP | 1.5651 | RDKit |
Molecular
Property | Value | Source |
---|---|---|
Molecular Weight | 149.19299999999998 g/mol | RDKit |
Exact
Property | Value | Source |
---|---|---|
Exact Molecular Weight | 149.084063972 g/mol | RDKit |
Heavy
Property | Value | Source |
---|---|---|
Heavy Atom Count | 11 count | RDKit |
Hydrogen
Property | Value | Source |
---|---|---|
Hydrogen Bond Acceptors | 2 count | RDKit |
Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
Property | Value | Source |
---|---|---|
Rotatable Bonds | 2 count | RDKit |
Aromatic
Property | Value | Source |
---|---|---|
Aromatic Ring Count | 1 count | RDKit |
Topological
Property | Value | Source |
---|---|---|
Topological Polar Surface Area | 20.310000000000002 Ų | RDKit |
Molar
Property | Value | Source |
---|---|---|
Molar Refractivity | 46.15650000000002 | RDKit |