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1,1-Dimethylethyl N-[(1R)-2-Hydroxy-1-Methylethyl]Carbamate
CAS: 106391-86-0 | C8H17NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
106391-86-0
Molecular Formula:
C8H17NO3
Molecular Weight:
175.22799999999998 g/mol
Names and Synonyms:
1,1-Dimethylethyl N-[(1R)-2-Hydroxy-1-Methylethyl]Carbamate
Carbamic acid, N-[(1R)-2-hydroxy-1-methylethyl]-, 1,1-dimethylethyl ester
Carbamic acid, (2-hydroxy-1-methylethyl)-, 1,1-dimethylethyl ester, (R)-
Carbamic acid, [(1R)-2-hydroxy-1-methylethyl]-, 1,1-dimethylethyl ester
1,1-Dimethylethyl N-[(1R)-2-hydroxy-1-methylethyl]carbamate
(R)-2-(N-tert-Butoxycarbonyl)aminopropan-1-ol
(R)-2-(tert-Butoxycarbonylamino)-1-propanol
N-(tert-Butoxycarbonyl)-D-alaninol
(R)-2-(tert-Butoxycarbonylamino)-1-propanol
((R)-2-Hydroxy-1-methylethyl)carbamic acid tert-butyl ester
(R)-2-[(tert-Butyloxycarbonyl)amino]propan-1-ol
(R)-(+)-2-(tert-Butoxycarbonylamino)-1-propanol
tert-Butyl ((1R)-2-hydroxy-1-methylethyl)carbamate
((1R)-2-Hydroxy-1-methylethyl)carbamic acid tert-butyl ester
tert-Butyl ((R)-1-hydroxypropan-2-yl)carbamate
N-((R)-2-Hydroxy-1-methylethyl)carbamic acid tert-butyl ester
1,1-Dimethylethyl ((1R)-2-hydroxy-1-methylethyl)carbamate
((R)-2-Hydroxy-1-methyl-ethyl)-carbamic acid tert-butyl ester
Boc-D-alaninol
tert-Butyl N-((R)-2-hydroxy-1-methylethyl)carbamate
tert-Butyl ((2R)-1-hydroxypropan-2-yl)carbamate
(R)-N-Boc-2-aminopropan-1-ol
tert-Butyl N-[(2R)-1-hydroxypropan-2-yl]carbamate
Identifiers:
SMILES:
C[C@H](CO)N=C(O)OC(C)(C)C
InChI:
InChI=1S/C8H17NO3/c1-6(5-10)9-7(11)12-8(2,3)4/h6,10H,5H2,1-4H3,(H,9,11)/t6-/m1/s1
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
| Category | Property | Value | Source |
|---|---|---|---|
| Molecular | Molecular Weight | 175.22799999999998 g/mol | RDKit |
| Exact | Exact Molecular Weight | 175.120843404 g/mol | RDKit |
| Heavy | Heavy Atom Count | 12 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit | |
| Rotatable | Rotatable Bonds | 2 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 62.05000000000001 Ų | RDKit |
| Physical Properties | LogP | 1.0962999999999998 | RDKit |
| molecular_mass | 175.23 g/mol | Legacy Database | |
| cas-canonical-smile | O=C(OC(C)(C)C)NC(C)CO | Legacy Database | |
| cas-inchi | InChI=1S/C8H17NO3/c1-6(5-10)9-7(11)12-8(2,3)4/h6,10H,5H2,1-4H3,(H,9,11)/t6-/m1/s1 | Legacy Database | |
| cas-inchi-key | InChIKey=PDAFIZPRSXHMCO-ZCFIWIBFSA-N | Legacy Database | |
| cas-melting-point | 60 °C | Legacy Database | |
| cas-name | 1,1-Dimethylethyl N-[(1R)-2-hydroxy-1-methylethyl]carbamate | Legacy Database | |
| Molar | Molar Refractivity | 47.449600000000025 | RDKit |
