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N,N-Dimethylbenzamide
CAS: 611-74-5 | C9H11NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
611-74-5
Molecular Formula:
C9H11NO
Molecular Weight:
149.19299999999998 g/mol
Names and Synonyms:
N,N-Dimethylbenzamide
NSC 10996
DMBZ
Dimethylbenzamide
N,N-Dimethylbenzamide
Benzamide, N,N-dimethyl-
Identifiers:
SMILES:
CN(C)C(=O)c1ccccc1
InChI:
InChI=1S/C9H11NO/c1-10(2)9(11)8-6-4-3-5-7-8/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
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 | 1 count | RDKit |
Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
Property | Value | Source |
---|---|---|
Rotatable Bonds | 1 count | RDKit |
Aromatic
Property | Value | Source |
---|---|---|
Aromatic Ring Count | 1 count | RDKit |
Topological
Property | Value | Source |
---|---|---|
Topological Polar Surface Area | 20.310000000000002 Ų | RDKit |
Physical Properties
Property | Value | Source |
---|---|---|
LogP | 1.3884 | RDKit |
molecular_mass | 149.19 g/mol | Legacy Database |
cas-boiling-point | 132-133 °C None | Legacy Database |
cas-canonical-smile | O=C(C=1C=CC=CC1)N(C)C None | Legacy Database |
cas-inchi | InChI=1S/C9H11NO/c1-10(2)9(11)8-6-4-3-5-7-8/h3-7H,1-2H3 None | Legacy Database |
cas-inchi-key | InChIKey=IMNDHOCGZLYMRO-UHFFFAOYSA-N None | Legacy Database |
cas-melting-point | 43-45 °C None | Legacy Database |
cas-name | N,N-Dimethylbenzamide None | Legacy Database |
Molar
Property | Value | Source |
---|---|---|
Molar Refractivity | 44.45950000000003 | RDKit |