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Molecule
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
Identifiers
CAS Registry Number
147611-03-8
SMILES
CC(C)(C)OC(O)=NC1CC2(CCNCC2)C1
InChI Key
UXSKWUIJYPVHKK-UHFFFAOYSA-N
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)
Names and Synonyms
- Carbamic Acid, N-7-Azaspiro[3.5]Non-2-Yl-, 1,1-Dimethylethyl Ester Systematic Name
- Carbamic acid, N-7-azaspiro[3.5]non-2-yl-, 1,1-dimethylethyl ester Synonym
- Carbamic acid, 7-azaspiro[3.5]non-2-yl-, 1,1-dimethylethyl ester Synonym
- 7-Azaspiro[3.5]nonane, carbamic acid deriv. Synonym
- 2-(tert-Butoxycarbonylamino)-7-azaspiro[3.5]nonane Synonym
- tert-Butyl (7-azaspiro[3.5]nonan-2-yl)carbamate Synonym
- (7-Azaspiro[3.5]non-2-yl)carbamic acid tert-butyl ester Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 240.35 g/mol | CAS Common Chemistry |
| 240.34699999999992 g/mol | RDKit | |
| 240.347 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 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9231 | RDKit |
| 0.92 | chempirical lib | |
| Exact Mass | 240.183778008 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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40
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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 = 240.35 g/mol. Edit any field — others recompute live.
