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(R)-Chroman-4-Amine
CAS: 210488-55-4 | C9H11NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
210488-55-4
Molecular Formula:
C9H11NO
Molecular Mass:
149.19 g/mol
Names and Synonyms:
(R)-Chroman-4-Amine
2H-1-Benzopyran-4-amine, 3,4-dihydro-, (4R)-
(4R)-3,4-Dihydro-2H-1-benzopyran-4-amine
(R)-Chroman-4-amine
(4R)-3,4-Dihydro-2H-1-benzopyran-4-amine
(4R)-3,4-Dihydro-2H-chromen-4-amine
Identifiers:
SMILES:
N[C@@H]1CCOc2ccccc21
InChI:
InChI=1S/C9H11NO/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-4,8H,5-6,10H2/t8-/m1/s1
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 | O1C=2C=CC=CC2C(N)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C9H11NO/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-4,8H,5-6,10H2/t8-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=LCOFMNJNNXWKOC-MRVPVSSYSA-N | CAS Common Chemistry |
| Name | (R)-Chroman-4-amine | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 35.25 Ų | RDKit |
| LogP | 1.4688999999999999 | RDKit |
| Molar Refractivity | 43.48240000000002 | RDKit |
