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Carbamic Acid, N-7-Azaspiro[3.5]Non-2-Yl-, 1,1-Dimethylethyl Ester
CAS: 147611-03-8 | C13H24N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
147611-03-8
Molecular Formula:
C13H24N2O2
Molecular Mass:
240.35 g/mol
Names and Synonyms:
Carbamic Acid, N-7-Azaspiro[3.5]Non-2-Yl-, 1,1-Dimethylethyl Ester
Carbamic acid, N-7-azaspiro[3.5]non-2-yl-, 1,1-dimethylethyl ester
Carbamic acid, 7-azaspiro[3.5]non-2-yl-, 1,1-dimethylethyl ester
7-Azaspiro[3.5]nonane, carbamic acid deriv.
2-(tert-Butoxycarbonylamino)-7-azaspiro[3.5]nonane
tert-Butyl (7-azaspiro[3.5]nonan-2-yl)carbamate
(7-Azaspiro[3.5]non-2-yl)carbamic acid tert-butyl ester
Identifiers:
SMILES:
CC(C)(C)OC(O)=NC1CC2(CCNCC2)C1
InChI:
InChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15-10-8-13(9-10)4-6-14-7-5-13/h10,14H,4-9H2,1-3H3,(H,15,16)
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 | 240.35 g/mol | CAS Common Chemistry |
| 240.34699999999992 g/mol | RDKit | |
| 240.183778008 g/mol | RDKit | |
| Canonical SMILES | O=C(OC(C)(C)C)NC1CC2(CCNCC2)C1 | CAS Common Chemistry |
| InChI | InChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15-10-8-13(9-10)4-6-14-7-5-13/h10,14H,4-9H2,1-3H3,(H,15,16) | CAS Common Chemistry |
| InChI Key | InChIKey=UXSKWUIJYPVHKK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Carbamic acid, N-7-azaspiro[3.5]non-2-yl-, 1,1-dimethylethyl ester | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 53.85 Ų | RDKit |
| LogP | 2.2477 | RDKit |
| Molar Refractivity | 68.46050000000004 | RDKit |
