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Molecule
N-Methyl-4-Methoxybenzylamine
CAS: 702-24-9 · C9H13NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 702-24-9
- Molecular Formula
- C9H13NO
- Molecular Mass
- 151.21 g/mol
Identifiers
CAS Registry Number
702-24-9
SMILES
CNCc1ccc(OC)cc1
InChI Key
AIJFPNKGGAPZFJ-UHFFFAOYSA-N
InChI
InChI=1S/C9H13NO/c1-10-7-8-3-5-9(11-2)6-4-8/h3-6,10H,7H2,1-2H3
Names and Synonyms
- N-Methyl-4-Methoxybenzylamine Common Name
- Benzenemethanamine, 4-methoxy-N-methyl- Synonym
- Benzylamine, p-methoxy-N-methyl- Synonym
- 4-Methoxy-N-methylbenzenemethanamine Synonym
- N-Benzyl-N-methyl-p-anisidine Synonym
- p-Methoxy-N-methylbenzylamine Synonym
- N-Methyl-4-methoxybenzylamine Synonym
- (p-Methoxybenzyl)methylamine Synonym
- N-Methyl-p-methoxybenzylamine Synonym
- (4-Methoxyphenyl)-N-methylmethanamine Synonym
- N-(4-Methoxybenzyl)-N-methylamine Synonym
- 4-Methoxybenzyl-N-methylamine Synonym
- 1-(4-Methoxyphenyl)-N-methylmethanamine Synonym
- 4-Methoxy-N-methylbenzylamine Synonym
- [(4-Methoxyphenyl)methyl](methyl)amine Synonym
- N-[(4-Methoxyphenyl)methyl]methylamine Synonym
- (4-Methoxybenzyl)methylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 151.21 g/mol | CAS Common Chemistry |
| 151.20899999999997 g/mol | RDKit | |
| 151.209 g/mol | RDKit | |
| Density | 1.03 g/cm³ | CAS Common Chemistry |
| 1.025 g/cm3 @ 0 °C | 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 |
| 21.26 Ų | RDKit | |
| LogP | 1.4146 | RDKit |
| Molar Refractivity | 45.75770000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 151.099714036 g/mol | RDKit |
| Boiling Point | 121 °C @ 14 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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.
External Resources
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MW = 151.21 g/mol; density = 1.030 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H13NO.
