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Cis-1-Amino-2-Indanol
CAS: 7480-35-5 | C9H11NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7480-35-5
Molecular Formula:
C9H11NO
Molecular Mass:
149.19 g/mol
Names and Synonyms:
Cis-1-Amino-2-Indanol
1H-Inden-2-ol, 1-amino-2,3-dihydro-, (1R,2S)-rel-
2-Indanol, 1-amino-, cis-
1H-Inden-2-ol, 1-amino-2,3-dihydro-, cis-
rel-(1R,2S)-1-Amino-2,3-dihydro-1H-inden-2-ol
(±)-cis-1-Amino-2-indanol
cis-1-Amino-2-indanol
cis-1-Amino-2-hydroxyindan
Identifiers:
SMILES:
N[C@@H]1c2ccccc2C[C@@H]1O
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
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 | 149.19 g/mol | CAS Common Chemistry |
| 149.19299999999998 g/mol | RDKit | |
| 149.084063972 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 |
| Molar Refractivity | 43.08120000000002 | RDKit |
