| CAS Number | 326816-37-9 |
| Catalog Number | AG01FQ0E(AGN-PC-0R829U) |
| Chemical Name | 2-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]ethanamine hydrochloride |
| IUPAC Name | 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethanamine;hydrochloride |
| InChI | InChI=1S/C8H8ClF3N2.ClH/c9-6-3-5(8(10,11)12)4-14-7(6)1-2-13;/h3-4H,1-2,13H2;1H |
| InChI Key | XZPAHUSHYKUMPU-UHFFFAOYSA-N |
| MDL Number | MFCD31714214 |
| Molecular Formula | C8H9Cl2F3N2 |
| Molecular Weight | 261.0717 |
| SMILES | Cl.ClC=1C(=NC=C(C1)C(F)(F)F)CCN |
| Synonyms | 326816-37-9,
2-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)ethanamine hydrochloride,
2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethanamine hydrochloride,
SCHEMBL1122045,
XZPAHUSHYKUMPU-UHFFFAOYSA-N,
2-(3-chloro-5-trifluormethyl-pyridin-2-yl)-ethylamine hydrochloride,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.009488g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.07g/mol |
| Monoisotopic Mass | 260.009488g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38.9Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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\N
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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\N
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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\N
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Certificate of Analysis
Lot Number