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Molecule
1,1-Dimethylethyl N-(2-Amino-2-Oxoethyl)Carbamate
CAS: 35150-09-5 · C7H14N2O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 35150-09-5
- Molecular Formula
- C7H14N2O3
- Molecular Mass
- 174.20 g/mol
Identifiers
CAS Registry Number
35150-09-5
SMILES
CC(C)(C)OC(O)=NCC(=N)O
InChI Key
RHONTQZNLFIDCQ-UHFFFAOYSA-N
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)
Names and Synonyms
- 1,1-Dimethylethyl N-(2-Amino-2-Oxoethyl)Carbamate Synonym
- Carbamic acid, N-(2-amino-2-oxoethyl)-, 1,1-dimethylethyl ester Synonym
- Carbamic acid, (2-amino-2-oxoethyl)-, 1,1-dimethylethyl ester Synonym
- 1,1-Dimethylethyl N-(2-amino-2-oxoethyl)carbamate Synonym
- N-(tert-Butoxycarbonyl)glycine amide Synonym
- Boc-glycinamide Synonym
- tert-Butyl N-(2-amino-2-oxoethyl)carbamate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 174.20 g/mol | CAS Common Chemistry |
| 174.2 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 |
| 1.2508 | RDKit | |
| Molar Refractivity | 46.12430000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7143 | RDKit |
| 0.71 | chempirical lib | |
| Exact Mass | 174.100442308 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| 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.
External Resources
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MW = 174.20 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H14N2O3.
