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N-Methyl-4-Methoxybenzylamine
CAS: 702-24-9 | C9H13NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
702-24-9
Molecular Formula:
C9H13NO
Molecular Mass:
151.21 g/mol
Names and Synonyms:
N-Methyl-4-Methoxybenzylamine
Benzenemethanamine, 4-methoxy-N-methyl-
Benzylamine, p-methoxy-N-methyl-
4-Methoxy-N-methylbenzenemethanamine
N-Benzyl-N-methyl-p-anisidine
p-Methoxy-N-methylbenzylamine
N-Methyl-4-methoxybenzylamine
(p-Methoxybenzyl)methylamine
N-Methyl-p-methoxybenzylamine
(4-Methoxyphenyl)-N-methylmethanamine
N-(4-Methoxybenzyl)-N-methylamine
4-Methoxybenzyl-N-methylamine
1-(4-Methoxyphenyl)-N-methylmethanamine
4-Methoxy-N-methylbenzylamine
[(4-Methoxyphenyl)methyl](methyl)amine
N-[(4-Methoxyphenyl)methyl]methylamine
(4-Methoxybenzyl)methylamine
Identifiers:
SMILES:
CNCc1ccc(OC)cc1
InChI:
InChI=1S/C9H13NO/c1-10-7-8-3-5-9(11-2)6-4-8/h3-6,10H,7H2,1-2H3
Key Properties
Boiling Point
121 °C @ Press: 14 Torr
CAS Common Chemistry
Melting Point
238 °C
CAS Common Chemistry
Density
1.03 g/cm³
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 | 151.21 g/mol | CAS Common Chemistry |
| 151.20899999999997 g/mol | RDKit | |
| 151.099714036 g/mol | RDKit | |
| Density | 1.03 g/cm³ | CAS Common Chemistry |
| 1.025 g/cm3 @ Temp: 0 °C | CAS Common Chemistry | |
| Boiling Point | 121 °C @ Press: 14 Torr | CAS Common Chemistry |
| Canonical SMILES | O(C1=CC=C(C=C1)CNC)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H13NO/c1-10-7-8-3-5-9(11-2)6-4-8/h3-6,10H,7H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=AIJFPNKGGAPZFJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 238 °C | CAS Common Chemistry |
| Name | N-Methyl-4-methoxybenzylamine | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 21.259999999999998 Ų | RDKit |
| LogP | 1.4146 | RDKit |
| Molar Refractivity | 45.75770000000003 | RDKit |
