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Tert-Butyl (4-Aminophenyl)Carbamate
CAS: 71026-66-9 | C11H16N2O2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
71026-66-9
Molecular Formula:
C11H16N2O2
Molecular Mass:
208.26 g/mol
Names and Synonyms:
Tert-Butyl (4-Aminophenyl)Carbamate
Carbamic acid, N-(4-aminophenyl)-, 1,1-dimethylethyl ester
Carbamic acid, (4-aminophenyl)-, 1,1-dimethylethyl ester
O-(1,1-Dimethylethyl) N-(4-aminophenyl)carbamate
tert-Butyl (4-aminophenyl)carbamate
4-(tert-Butoxycarbonylamino)aniline
N-(tert-Butoxycarbonyl)-1,4-phenylenediamine
N-(t-Butoxycarbonyl)-4-aminoaniline
(4-Aminophenyl)carbamic acid tert-butyl ester
(4-Aminophenyl)carbamic acid 1,1-dimethylethyl ester
N-(4-Aminophenyl)carbamic acid 1,1-dimethylethyl ester
tert-Butyl N-(4-anilino)carbamate
4-t-Butoxycarbonylaminoaniline
4-tert-Butoxycarbonylaminophenylamine
1,1-Dimethylethyl (4-aminophenyl)carbamate
N-(tert-Butoxycarbonyl)-p-phenylenediamine
4-Amino-N-tert-butoxycarbonylaniline
Identifiers:
SMILES:
CC(C)(C)OC(=O)Nc1ccc(N)cc1
InChI:
InChI=1S/C11H16N2O2/c1-11(2,3)15-10(14)13-9-6-4-8(12)5-7-9/h4-7H,12H2,1-3H3,(H,13,14)
Key Properties
Melting Point
112-114 °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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6
5
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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 |
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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 | 208.26 g/mol | CAS Common Chemistry |
| 208.261 g/mol | RDKit | |
| 208.121177752 g/mol | RDKit | |
| Canonical SMILES | O=C(OC(C)(C)C)NC1=CC=C(N)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C11H16N2O2/c1-11(2,3)15-10(14)13-9-6-4-8(12)5-7-9/h4-7H,12H2,1-3H3,(H,13,14) | CAS Common Chemistry |
| InChI Key | InChIKey=WIVYTYZCVWHWSH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 112-114 °C | CAS Common Chemistry |
| Name | tert-Butyl (4-aminophenyl)carbamate | 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 | 64.35 Ų | RDKit |
| LogP | 2.6158 | RDKit |
| Molar Refractivity | 60.71110000000003 | RDKit |
