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Molecule
(R)-Chroman-4-Amine
CAS: 210488-55-4 · C9H11NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 210488-55-4
- Molecular Formula
- C9H11NO
- Molecular Mass
- 149.19 g/mol
Identifiers
CAS Registry Number
210488-55-4
SMILES
N[C@@H]1CCOc2ccccc21
InChI Key
LCOFMNJNNXWKOC-MRVPVSSYSA-N
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
Names and Synonyms
- (R)-Chroman-4-Amine Synonym
- 2H-1-Benzopyran-4-amine, 3,4-dihydro-, (4R)- Synonym
- (4R)-3,4-Dihydro-2H-1-benzopyran-4-amine Synonym
- (R)-Chroman-4-amine Synonym
- (4R)-3,4-Dihydro-2H-1-benzopyran-4-amine Synonym
- (4R)-3,4-Dihydro-2H-chromen-4-amine 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 | 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 |
| 1.4689 | RDKit | |
| 1.55 | chempirical lib | |
| Molar Refractivity | 43.48240000000002 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...
10 ppm
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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.
