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Molecule
4-(Benzylamino)Phenol
CAS: 103-14-0 · C13H13NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 103-14-0
- Molecular Formula
- C13H13NO
- Molecular Mass
- 199.25 g/mol
Identifiers
CAS Registry Number
103-14-0
SMILES
Oc1ccc(NCc2ccccc2)cc1
InChI Key
SRYYOKKLTBRLHT-UHFFFAOYSA-N
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
Names and Synonyms
- 4-(Benzylamino)Phenol Synonym
- Phenol, 4-[(phenylmethyl)amino]- Synonym
- Phenol, p-(benzylamino)- Synonym
- 4-[(Phenylmethyl)amino]phenol Synonym
- N-Benzyl-p-aminophenol Synonym
- p-(Benzylamino)phenol Synonym
- 4-(Benzylamino)phenol Synonym
- 4-N-Benzylaminophenol Synonym
- N-Benzyl-4-hydroxyaniline Synonym
- N-Benzyl-4-aminophenol Synonym
- N-(4-Hydroxyphenyl)benzylamine Synonym
- p-(N-benzylamino)phenol Synonym
- Benzyl(4-hydroxyphenyl)amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 199.25 g/mol | CAS Common Chemistry |
| 199.25300000000004 g/mol | RDKit | |
| 199.253 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 |
| 3.0043 | RDKit | |
| Molar Refractivity | 61.87550000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0769 | RDKit |
| 0.08 | chempirical lib | |
| Exact Mass | 199.099714036 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
External Resources
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MW = 199.25 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H13NO.
