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1,1-Dimethylethyl N-(2-Amino-2-Oxoethyl)Carbamate
CAS: 35150-09-5 | C7H14N2O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
35150-09-5
Molecular Formula:
C7H14N2O3
Molecular Mass:
174.20 g/mol
Names and Synonyms:
1,1-Dimethylethyl N-(2-Amino-2-Oxoethyl)Carbamate
Carbamic acid, N-(2-amino-2-oxoethyl)-, 1,1-dimethylethyl ester
Carbamic acid, (2-amino-2-oxoethyl)-, 1,1-dimethylethyl ester
1,1-Dimethylethyl N-(2-amino-2-oxoethyl)carbamate
N-(tert-Butoxycarbonyl)glycine amide
Boc-glycinamide
tert-Butyl N-(2-amino-2-oxoethyl)carbamate
Identifiers:
SMILES:
CC(C)(C)OC(O)=NCC(=N)O
InChI:
InChI=1S/C7H14N2O3/c1-7(2,3)12-6(11)9-4-5(8)10/h4H2,1-3H3,(H2,8,10)(H,9,11)
Key Properties
Melting Point
85-87 °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 | 174.20 g/mol | CAS Common Chemistry |
| 174.2 g/mol | RDKit | |
| 174.100442308 g/mol | RDKit | |
| Canonical SMILES | O=C(OC(C)(C)C)NCC(=O)N | CAS Common Chemistry |
| InChI | InChI=1S/C7H14N2O3/c1-7(2,3)12-6(11)9-4-5(8)10/h4H2,1-3H3,(H2,8,10)(H,9,11) | CAS Common Chemistry |
| InChI Key | InChIKey=RHONTQZNLFIDCQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 85-87 °C | CAS Common Chemistry |
| Name | 1,1-Dimethylethyl N-(2-amino-2-oxoethyl)carbamate | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 85.9 Ų | RDKit |
| LogP | 1.25077 | RDKit |
| Molar Refractivity | 46.12430000000002 | RDKit |
