Back to Search
Molecule
Tert-Butyl (4-Aminophenyl)Carbamate
CAS: 71026-66-9 · C11H16N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 71026-66-9
- Molecular Formula
- C11H16N2O2
- Molecular Mass
- 208.26 g/mol
Identifiers
CAS Registry Number
71026-66-9
SMILES
CC(C)(C)OC(=O)Nc1ccc(N)cc1
InChI Key
WIVYTYZCVWHWSH-UHFFFAOYSA-N
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)
Names and Synonyms
- Tert-Butyl (4-Aminophenyl)Carbamate Synonym
- Carbamic acid, N-(4-aminophenyl)-, 1,1-dimethylethyl ester Synonym
- Carbamic acid, (4-aminophenyl)-, 1,1-dimethylethyl ester Synonym
- O-(1,1-Dimethylethyl) N-(4-aminophenyl)carbamate Synonym
- tert-Butyl (4-aminophenyl)carbamate Synonym
- 4-(tert-Butoxycarbonylamino)aniline Synonym
- N-(tert-Butoxycarbonyl)-1,4-phenylenediamine Synonym
- N-(t-Butoxycarbonyl)-4-aminoaniline Synonym
- (4-Aminophenyl)carbamic acid tert-butyl ester Synonym
- (4-Aminophenyl)carbamic acid 1,1-dimethylethyl ester Synonym
- N-(4-Aminophenyl)carbamic acid 1,1-dimethylethyl ester Synonym
- tert-Butyl N-(4-anilino)carbamate Synonym
- 4-t-Butoxycarbonylaminoaniline Synonym
- 4-tert-Butoxycarbonylaminophenylamine Synonym
- 1,1-Dimethylethyl (4-aminophenyl)carbamate Synonym
- N-(tert-Butoxycarbonyl)-p-phenylenediamine Synonym
- 4-Amino-N-tert-butoxycarbonylaniline Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 208.26 g/mol | CAS Common Chemistry |
| 208.261 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 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3636 | RDKit |
| 0.36 | chempirical lib | |
| Exact Mass | 208.121177752 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 208.26 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H16N2O2.
