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1,1-Dimethylethyl N-(5-Hydroxypentyl)Carbamate
CAS: 75178-90-4 | C10H21NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
75178-90-4
Molecular Formula:
C10H21NO3
Molecular Mass:
203.28 g/mol
Names and Synonyms:
1,1-Dimethylethyl N-(5-Hydroxypentyl)Carbamate
Carbamic acid, N-(5-hydroxypentyl)-, 1,1-dimethylethyl ester
Carbamic acid, (5-hydroxypentyl)-, 1,1-dimethylethyl ester
1,1-Dimethylethyl N-(5-hydroxypentyl)carbamate
5-(N-tert-Butoxycarbonyl)amino-1-pentanol
5-(tert-Butoxycarbonyl)amino-1-pentanol
tert-Butyl (5-hydroxypentyl)carbamate
N-(tert-Butoxycarbonyl)-5-aminopentanol
5-[[(t-Butyloxy)carbonyl]amino]pentanol
1,1-Dimethylethyl (5-hydroxypentyl)carbamate
5-(Boc-amino)pentan-1-ol
(5-Hydroxypentyl)carbamic acid tert-butyl ester
1-(tert-Butoxycarbonylamino)-5-pentanol
tert-Butyl N-(5-hydroxypentyl)carbamate
Identifiers:
SMILES:
CC(C)(C)OC(O)=NCCCCCO
InChI:
InChI=1S/C10H21NO3/c1-10(2,3)14-9(13)11-7-5-4-6-8-12/h12H,4-8H2,1-3H3,(H,11,13)
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 | 203.28 g/mol | CAS Common Chemistry |
| 203.28199999999993 g/mol | RDKit | |
| 203.152143532 g/mol | RDKit | |
| Canonical SMILES | O=C(OC(C)(C)C)NCCCCCO | CAS Common Chemistry |
| InChI | InChI=1S/C10H21NO3/c1-10(2,3)14-9(13)11-7-5-4-6-8-12/h12H,4-8H2,1-3H3,(H,11,13) | CAS Common Chemistry |
| InChI Key | InChIKey=DDGNGFVNTZJMMZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,1-Dimethylethyl N-(5-hydroxypentyl)carbamate | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 62.05 Ų | RDKit |
| LogP | 1.8781000000000003 | RDKit |
| Molar Refractivity | 56.70560000000004 | RDKit |
