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N-Methyltyramine
CAS: 370-98-9 | C9H13NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
370-98-9
Molecular Formula:
C9H13NO
Molecular Weight:
151.20899999999997 g/mol
Names and Synonyms:
N-Methyltyramine
N-Methyl-N-[2-(4-hydroxyphenyl)ethyl]amine
NSC 113958
N-Methyl-p-tyramine
4-Hydroxy-N-methylphenethylamine
N-Methyltyramine
4-[2-(Methylamino)ethyl]phenol
Phenol, p-[2-(methylamino)ethyl]-
Phenol, 4-[2-(methylamino)ethyl]-
Identifiers:
SMILES:
CNCCc1ccc(O)cc1
InChI:
InChI=1S/C9H13NO/c1-10-7-6-8-2-4-9(11)5-3-8/h2-5,10-11H,6-7H2,1H3
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 |
|---|---|---|---|
| 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 | 2 count | RDKit | |
| Rotatable | Rotatable Bonds | 3 count | RDKit |
| Aromatic | Aromatic Ring Count | 1 count | RDKit |
| Topological | Topological Polar Surface Area | 32.26 Ų | RDKit |
| Physical Properties | LogP | 1.1541 | RDKit |
| molecular_mass | 151.21 g/mol | Legacy Database | |
| wikipedia_url | https://en.wikipedia.org/wiki/N-Methyltyramine | Legacy Database | |
| cas-canonical-smile | OC1=CC=C(C=C1)CCNC | Legacy Database | |
| cas-inchi | InChI=1S/C9H13NO/c1-10-7-6-8-2-4-9(11)5-3-8/h2-5,10-11H,6-7H2,1H3 | Legacy Database | |
| cas-inchi-key | InChIKey=AXVZFRBSCNEKPQ-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 127-128 °C | Legacy Database | |
| cas-name | N-Methyltyramine | Legacy Database | |
| wikipedia-name | N-Methyltyramine | Legacy Database | |
| Molar | Molar Refractivity | 45.737500000000026 | RDKit |
