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4-(Benzylamino)Phenol
CAS: 103-14-0 | C13H13NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
103-14-0
Molecular Formula:
C13H13NO
Molecular Mass:
199.25 g/mol
Names and Synonyms:
4-(Benzylamino)Phenol
Phenol, 4-[(phenylmethyl)amino]-
Phenol, p-(benzylamino)-
4-[(Phenylmethyl)amino]phenol
N-Benzyl-p-aminophenol
p-(Benzylamino)phenol
4-(Benzylamino)phenol
4-N-Benzylaminophenol
N-Benzyl-4-hydroxyaniline
N-Benzyl-4-aminophenol
N-(4-Hydroxyphenyl)benzylamine
p-(N-benzylamino)phenol
Benzyl(4-hydroxyphenyl)amine
Identifiers:
SMILES:
Oc1ccc(NCc2ccccc2)cc1
InChI:
InChI=1S/C13H13NO/c15-13-8-6-12(7-9-13)14-10-11-4-2-1-3-5-11/h1-9,14-15H,10H2
Key Properties
Melting Point
175 °C
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 | 199.25 g/mol | CAS Common Chemistry |
| 199.25300000000004 g/mol | RDKit | |
| 199.099714036 g/mol | RDKit | |
| Canonical SMILES | OC1=CC=C(C=C1)NCC=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C13H13NO/c15-13-8-6-12(7-9-13)14-10-11-4-2-1-3-5-11/h1-9,14-15H,10H2 | CAS Common Chemistry |
| InChI Key | InChIKey=SRYYOKKLTBRLHT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 175 °C | CAS Common Chemistry |
| Name | 4-(Benzylamino)phenol | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 32.26 Ų | RDKit |
| LogP | 3.0043000000000015 | RDKit |
| Molar Refractivity | 61.87550000000003 | RDKit |
