Back to Search
Molecule
(Αr)-2,4-Dichloro-Α-Methylbenzenemethanamine
CAS: 133773-29-2 · C8H9Cl2N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 133773-29-2
- Molecular Formula
- C8H9Cl2N
- Molecular Mass
- 190.07 g/mol
Identifiers
CAS Registry Number
133773-29-2
SMILES
C[C@@H](N)c1ccc(Cl)cc1Cl
InChI Key
OUVZHZAOWDHBOU-RXMQYKEDSA-N
InChI
InChI=1S/C8H9Cl2N/c1-5(11)7-3-2-6(9)4-8(7)10/h2-5H,11H2,1H3/t5-/m1/s1
Names and Synonyms
- (Αr)-2,4-Dichloro-Α-Methylbenzenemethanamine Synonym
- Benzenemethanamine, 2,4-dichloro-α-methyl-, (αR)- Synonym
- Benzenemethanamine, 2,4-dichloro-α-methyl-, (R)- Synonym
- (αR)-2,4-Dichloro-α-methylbenzenemethanamine Synonym
- (+)-1-(2,4-Dichlorophenyl)ethylamine Synonym
- (R)-2,4-Dichloro-α-methylbenzylamine Synonym
- [(R)-1-(2,4-Dichlorophenyl)ethyl]amine Synonym
- (R)-1-(2,4-Dichlorophenyl)ethan-1-amine Synonym
- (R)-1-(2,4-Dichlorophenyl)ethanamine Synonym
- (1R)-1-(2,4-Dichlorophenyl)ethanamine Synonym
- (1R)-1-(2,4-Dichlorophenyl)ethan-1-amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 190.07 g/mol | CAS Common Chemistry |
| 190.07299999999998 g/mol | RDKit | |
| 190.073 g/mol | RDKit | |
| 190.067 g/mol | chempirical lib | |
| Canonical SMILES | ClC1=CC=C(C(Cl)=C1)C(N)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H9Cl2N/c1-5(11)7-3-2-6(9)4-8(7)10/h2-5H,11H2,1H3/t5-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=OUVZHZAOWDHBOU-RXMQYKEDSA-N | CAS Common Chemistry |
| Name | (αR)-2,4-Dichloro-α-methylbenzenemethanamine | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 3.0131000000000006 | RDKit |
| 3.0131 | RDKit | |
| 2.83 | chempirical lib | |
| Molar Refractivity | 49.06440000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 189.011204648 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 190.07 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H9Cl2N.
