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Molecule
Cis-1-Amino-2-Indanol
CAS: 7480-35-5 · C9H11NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7480-35-5
- Molecular Formula
- C9H11NO
- Molecular Mass
- 149.19 g/mol
Identifiers
CAS Registry Number
7480-35-5
SMILES
N[C@@H]1c2ccccc2C[C@@H]1O
InChI Key
LOPKSXMQWBYUOI-BRJQIKQINA-N
InChI
InChI=1/C9H11NO/c10-9-7-4-2-1-3-6(7)5-8(9)11/h1-4,8-9,11H,5,10H2/t8-,9+/s2
Names and Synonyms
- Cis-1-Amino-2-Indanol Common Name
- 1H-Inden-2-ol, 1-amino-2,3-dihydro-, (1R,2S)-rel- Synonym
- 2-Indanol, 1-amino-, cis- Synonym
- 1H-Inden-2-ol, 1-amino-2,3-dihydro-, cis- Synonym
- rel-(1R,2S)-1-Amino-2,3-dihydro-1H-inden-2-ol Synonym
- (±)-cis-1-Amino-2-indanol Synonym
- cis-1-Amino-2-indanol Synonym
- cis-1-Amino-2-hydroxyindan Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 149.19 g/mol | CAS Common Chemistry |
| 149.19299999999998 g/mol | RDKit | |
| 149.193 g/mol | RDKit | |
| Canonical SMILES | OC1CC=2C=CC=CC2C1N | CAS Common Chemistry |
| InChI | InChI=1/C9H11NO/c10-9-7-4-2-1-3-6(7)5-8(9)11/h1-4,8-9,11H,5,10H2/t8-,9+/s2 | CAS Common Chemistry |
| InChI Key | InChIKey=LOPKSXMQWBYUOI-BRJQIKQINA-N | CAS Common Chemistry |
| Name | cis-1-Amino-2-indanol | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 46.25 Ų | RDKit |
| LogP | 0.6034000000000002 | RDKit |
| 0.6034 | RDKit | |
| Molar Refractivity | 43.08120000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 149.084063972 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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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 = 149.19 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H11NO.
