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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 Weight:
151.20899999999997 g/mol
Names and Synonyms:
N-Methyl-4-Methoxybenzylamine
(4-Methoxybenzyl)methylamine
N-[(4-Methoxyphenyl)methyl]methylamine
[(4-Methoxyphenyl)methyl](methyl)amine
4-Methoxy-N-methylbenzylamine
1-(4-Methoxyphenyl)-N-methylmethanamine
4-Methoxybenzyl-N-methylamine
N-(4-Methoxybenzyl)-N-methylamine
(4-Methoxyphenyl)-N-methylmethanamine
N-Methyl-p-methoxybenzylamine
(p-Methoxybenzyl)methylamine
N-Methyl-4-methoxybenzylamine
p-Methoxy-N-methylbenzylamine
N-Benzyl-N-methyl-p-anisidine
4-Methoxy-N-methylbenzenemethanamine
Benzylamine, p-methoxy-N-methyl-
Benzenemethanamine, 4-methoxy-N-methyl-
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
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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8
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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120
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20
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| 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
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | molecular_mass | 151.21 g/mol | Legacy Database |
| density | 1.03 g/cm³ | Legacy Database | |
| cas-boiling-point | 121 °C @ Press: 14 Torr | Legacy Database | |
| cas-canonical-smile | O(C1=CC=C(C=C1)CNC)C | Legacy Database | |
| cas-density | 1.025 g/cm3 @ Temp: 0 °C | Legacy Database | |
| cas-inchi | InChI=1S/C9H13NO/c1-10-7-8-3-5-9(11-2)6-4-8/h3-6,10H,7H2,1-2H3 | Legacy Database | |
| cas-inchi-key | InChIKey=AIJFPNKGGAPZFJ-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 238 °C | Legacy Database | |
| cas-name | N-Methyl-4-methoxybenzylamine | Legacy Database | |
| LogP | 1.4146 | RDKit | |
| Molecular | Molecular Weight | 151.20899999999997 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 | 1 count | RDKit | |
| Rotatable | Rotatable Bonds | 3 count | RDKit |
| Aromatic | Aromatic Ring Count | 1 count | RDKit |
| Topological | Topological Polar Surface Area | 21.259999999999998 Ų | RDKit |
| Molar | Molar Refractivity | 45.75770000000003 | RDKit |
