| CAS Number | 1391506-72-1 |
| Catalog Number | AG009ZQO |
| Chemical Name | (1S)-1-(2,5-Dichlorophenyl)ethan-1-amine hydrochloride |
| IUPAC Name | (1S)-1-(2,5-dichlorophenyl)ethanamine;hydrochloride |
| InChI | InChI=1S/C8H9Cl2N.ClH/c1-5(11)7-4-6(9)2-3-8(7)10;/h2-5H,11H2,1H3;1H/t5-;/m0./s1 |
| InChI Key | KKWDPZFRLWOVHP-JEDNCBNOSA-N |
| MDL Number | MFCD12757834 |
| Molecular Formula | C8H10Cl3N |
| Molecular Weight | 226.5307 |
| SMILES | C[C@H](N)C1=CC(Cl)=CC=C1Cl.[H]Cl |
| Synonyms | (1S)-1-(2,5-dichlorophenyl)ethan-1-amine hydrochloride,
1391506-72-1,
NE35874,
(1S)-1-(2,5-DICHLOROPHENYL)ETHANAMINE HYDROCHLORIDE,
|
| Complexity | 129 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.988g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.525g/mol |
| Monoisotopic Mass | 224.988g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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