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3-Ethylamino-P-Cresol
CAS: 120-37-6 | C9H13NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
120-37-6
Molecular Formula:
C9H13NO
Molecular Mass:
151.21 g/mol
Names and Synonyms:
3-Ethylamino-P-Cresol
Phenol, 3-(ethylamino)-4-methyl-
p-Cresol, 3-(ethylamino)-
3-(Ethylamino)-4-methylphenol
2-Ethylamino-4-hydroxytoluene
3-Ethylamino-4-cresol
1-Methyl-2-(ethylamino)-4-hydroxybenzene
2-Ethylamino-4-hydroxy-1-methylbenzene
3-Ethylamino-4-methylphenol
4-Methyl-3-ethylaminophenol
3-Ethylamino-p-cresol
N-Ethyl-5-hydroxy-2-methylaniline
Identifiers:
SMILES:
CCNc1cc(O)ccc1C
InChI:
InChI=1S/C9H13NO/c1-3-10-9-6-8(11)5-4-7(9)2/h4-6,10-11H,3H2,1-2H3
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 |
| 151.20899999999995 g/mol | RDKit | |
| 151.099714036 g/mol | RDKit | |
| Canonical SMILES | OC1=CC=C(C(=C1)NCC)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H13NO/c1-3-10-9-6-8(11)5-4-7(9)2/h4-6,10-11H,3H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=CTGSQPRDMHCIMM-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 3-Ethylamino-p-cresol | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 32.26 Ų | RDKit |
| LogP | 2.1324199999999998 | RDKit |
| Molar Refractivity | 47.00750000000003 | RDKit |
