| CAS Number | 1998701-29-3 |
| Catalog Number | AG00I3PV(AGN-PC-0WR3QD) |
| Chemical Name | (1S)-1-(5-Chloro-3-fluorophenyl)ethylamine-hcl |
| IUPAC Name | (1S)-1-(3-chloro-5-fluorophenyl)ethanamine;hydrochloride |
| InChI | InChI=1S/C8H9ClFN.ClH/c1-5(11)6-2-7(9)4-8(10)3-6;/h2-5H,11H2,1H3;1H/t5-;/m0./s1 |
| InChI Key | YTFYFLQQTPBAHS-JEDNCBNOSA-N |
| MDL Number | MFCD12758064 |
| Molecular Formula | C8H10Cl2FN |
| Molecular Weight | 210.0761 |
| SMILES | C[C@H](N)C1=CC(F)=CC(Cl)=C1.[H]Cl |
| Synonyms | 1241678-48-7,
(1S)-1-(5-Chloro-3-fluorophenyl)ethylamine-HCl,
(S)-1-(3-Chloro-5-fluorophenyl)ethanamine hydrochloride,
1998701-29-3,
(1S)-1-(5-CHLORO-3-FLUOROPHENYL)ETHYLAMINE HCl,
KS-00000TPM,
MFCD07772567,
MFCD12758064,
AKOS030632743,
GS-7281,
KS-000026F2,
AX8297112,
(1S)-1-(5-chloro-3-fluorophenyl)ethylamine hydrochloride,
(1S)-1-(3-chloro-5-fluorophenyl)ethan-1-amine hydrochloride,
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| Complexity | 131 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.073g/mol |
| Monoisotopic Mass | 209.017g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number