| CAS Number | 1955523-20-2 |
| Catalog Number | AG00ASCF(AGN-PC-0WAMIW) |
| Chemical Name | 1-(5-chloro-2-fluorophenyl)ethan-1-amine hydrochloride |
| IUPAC Name | 1-(5-chloro-2-fluorophenyl)ethanamine;hydrochloride |
| InChI | InChI=1S/C8H9ClFN.ClH/c1-5(11)7-4-6(9)2-3-8(7)10;/h2-5H,11H2,1H3;1H |
| InChI Key | ZJWNGZJNOWRDLV-UHFFFAOYSA-N |
| MDL Number | MFCD29904930 |
| Molecular Formula | C8H10Cl2FN |
| Molecular Weight | 210.0761 |
| SMILES | CC(N)C1=CC(Cl)=CC=C1F.[H]Cl |
| Synonyms | 1955523-20-2,
1-(5-Chloro-2-fluorophenyl)ethanamine hydrochloride,
1-(5-chloro-2-fluorophenyl)ethan-1-amine hydrochloride,
1-(5-CHLORO-2-FLUOROPHENYL)ETHYLAMINE HCl,
SCHEMBL19613461,
KS-00000LDF,
MFCD29904930,
AKOS027337381,
AK338981,
DS-12599,
1-(5-Chloro-2-fluorophenyl)ethanamine HCl,
4CH-019196,
1-(5-chloro-2-fluorophenyl)ethanamine;hydrochloride,
(1S)-1-(5-CHLORO-2-FLUOROPHENYL)ETHAN-1-AMINE HCL,
(R)-1-(5-Chloro-2-fluorophenyl)ethanamine hydrochloride,
1270391-53-1,
1217464-96-4,
1332593-91-5,
1423040-76-9,
|
| Complexity | 131 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| 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 | 1 |
| 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