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(4-Hydroxyphenyl)Carbamic Acid Tert-Butyl Ester
CAS: 54840-15-2 | C11H15NO3
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
54840-15-2
Molecular Formula:
C11H15NO3
Molecular Mass:
209.24 g/mol
Names and Synonyms:
(4-Hydroxyphenyl)Carbamic Acid Tert-Butyl Ester
Carbamic acid, N-(4-hydroxyphenyl)-, 1,1-dimethylethyl ester
Carbamic acid, (4-hydroxyphenyl)-, 1,1-dimethylethyl ester
4-[(tert-Butoxycarbonyl)amino]phenol
tert-Butyl p-hydroxycarbanilate
tert-Butyl 4-hydroxyphenylcarbamate
tert-Butyl N-(4-hydroxyphenyl)carbamate
N-(4-Hydroxyphenyl)carbamic acid tert-butyl ester
(4-Hydroxyphenyl)carbamic acid tert-butyl ester
N-(tert-Butoxycarbonyl)-4-hydroxyaniline
4-(N-t-Butoxycarbonylamino)phenol
1,1-Dimethylethyl (4-hydroxyphenyl)carbamate
4-Hydroxy-N-(tert-butoxycarbonyl)aniline
N-Boc-4-hydroxyaniline
N-Boc-4-aminophenol
Identifiers:
SMILES:
CC(C)(C)OC(=O)Nc1ccc(O)cc1
InChI:
InChI=1S/C11H15NO3/c1-11(2,3)15-10(14)12-8-4-6-9(13)7-5-8/h4-7,13H,1-3H3,(H,12,14)
Key Properties
Melting Point
146 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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5
4
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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40
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 209.24 g/mol | CAS Common Chemistry |
| 209.245 g/mol | RDKit | |
| 209.10519334 g/mol | RDKit | |
| Canonical SMILES | O=C(OC(C)(C)C)NC1=CC=C(O)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C11H15NO3/c1-11(2,3)15-10(14)12-8-4-6-9(13)7-5-8/h4-7,13H,1-3H3,(H,12,14) | CAS Common Chemistry |
| InChI Key | InChIKey=YRQMBQUMJFVZLF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 146 °C | CAS Common Chemistry |
| Name | (4-Hydroxyphenyl)carbamic acid tert-butyl ester | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 58.56 Ų | RDKit |
| LogP | 2.7392000000000003 | RDKit |
| Molar Refractivity | 57.96350000000003 | RDKit |
