| CAS Number | 1308650-40-9 |
| Catalog Number | AG00HS9S(AGN-PC-0WNGGA) |
| Chemical Name | (S)-1-(4-Iodophenyl)ethanamine hydrochloride |
| IUPAC Name | (1S)-1-(4-iodophenyl)ethanamine;hydrochloride |
| InChI | InChI=1S/C8H10IN.ClH/c1-6(10)7-2-4-8(9)5-3-7;/h2-6H,10H2,1H3;1H/t6-;/m0./s1 |
| InChI Key | PZYFIOFVFANOJA-RGMNGODLSA-N |
| MDL Number | MFCD16295044 |
| Molecular Formula | C8H11ClIN |
| Molecular Weight | 283.5371 |
| SMILES | C[C@@H](C1=CC=C(I)C=C1)N.[H]Cl |
| Synonyms | (S)-1-(4-iodophenyl)ethanamine-HCl,
(S)-1-(4-iodophenyl)ethanamine hydrochloride,
1308650-40-9,
(1S)-1-(4-iodophenyl)ethan-1-amine hydrochloride,
(S)-1-(4-Iodophenyl)ethanamine HCl,
AC1Q38QT,
KS-00000TVE,
MFCD08057409,
AKOS030632826,
DS-19463,
AB0000874,
EN300-73263,
(1S)-1-(4-iodophenyl)ethanamine hydrochloride,
S-1266,
ACN-055244,
56639-48-6,
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| Complexity | 97.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.962g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.537g/mol |
| Monoisotopic Mass | 282.962g/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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Certificate of Analysis
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