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4-Methoxy-N,N-Dimethylbenzenamine
CAS: 701-56-4 | C9H13NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
701-56-4
Molecular Formula:
C9H13NO
Molecular Weight:
151.209 g/mol
Names and Synonyms:
4-Methoxy-N,N-Dimethylbenzenamine
N,N-Dimethylanisidine
NSC 86670
4-Dimethylaminoanisole
4-(N,N′-Dimethylamino)methoxybenzene
N,N-Dimethyl-p-methoxyaniline
4-(Dimethylamino)methoxybenzene
N,N-Dimethyl-4-methoxyaniline
4-Methoxy-N,N-dimethylaniline
p-Methoxy-N,N-dimethylaniline
p-(Dimethylamino)anisole
N,N-Dimethyl-p-anisidine
4-Methoxy-N,N-dimethylbenzenamine
p-Anisidine, N,N-dimethyl-
Benzenamine, 4-methoxy-N,N-dimethyl-
Identifiers:
SMILES:
COc1ccc(N(C)C)cc1
InChI:
InChI=1S/C9H13NO/c1-10(2)8-4-6-9(11-3)7-5-8/h4-7H,1-3H3
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
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | molecular_mass | 151.21 g/mol | Legacy Database |
| cas-boiling-point | 237 °C | Legacy Database | |
| cas-canonical-smile | O(C1=CC=C(C=C1)N(C)C)C | Legacy Database | |
| cas-inchi | InChI=1S/C9H13NO/c1-10(2)8-4-6-9(11-3)7-5-8/h4-7H,1-3H3 | Legacy Database | |
| cas-inchi-key | InChIKey=ZTKDMNHEQMILPE-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 48 °C | Legacy Database | |
| cas-name | 4-Methoxy-N,N-dimethylbenzenamine | Legacy Database | |
| LogP | 1.7611999999999999 | RDKit | |
| Molecular | Molecular Weight | 151.209 g/mol | RDKit |
| Exact | Exact Molecular Weight | 151.099714036 g/mol | RDKit |
| Heavy | Heavy Atom Count | 11 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit | |
| Rotatable | Rotatable Bonds | 2 count | RDKit |
| Aromatic | Aromatic Ring Count | 1 count | RDKit |
| Topological | Topological Polar Surface Area | 12.47 Ų | RDKit |
| Molar | Molar Refractivity | 47.321000000000026 | RDKit |
