| CAS Number | 1269469-78-4 |
| Catalog Number | AG009ZRA |
| Chemical Name | (S)-1-(3-Chloro-4-methylphenyl)ethanamine hydrochloride |
| IUPAC Name | 1-(3-chloro-4-methylphenyl)ethanamine;hydrochloride |
| InChI | InChI=1S/C9H12ClN.ClH/c1-6-3-4-8(7(2)11)5-9(6)10;/h3-5,7H,11H2,1-2H3;1H |
| InChI Key | HNXIRJOFFYIHSG-UHFFFAOYSA-N |
| MDL Number | MFCD16294091 |
| Molecular Formula | C9H13Cl2N |
| Molecular Weight | 206.1122 |
| SMILES | C[C@H](N)C1=CC=C(C)C(Cl)=C1.[H]Cl |
| Synonyms | 1269469-78-4,
(1S)-1-(3-chloro-4-methylphenyl)ethanamine;hydrochloride,
AK134018,
SCHEMBL4936460,
AKOS032947628,
AK689535,
4CH-019192,
AK00739619,
(1R)-1-(3-chloro-4-methylphenyl)ethanamine;hydrochloride,
(S)-1-(3-Chloro-4-methylphenyl)ethanamine hydrochloride,
(R)-1-(3-Chloro-4-methylphenyl)ethanamine hydrochloride,
856562-92-0,
1213460-65-1,
|
| Complexity | 127 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.11g/mol |
| Monoisotopic Mass | 205.043g/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
| 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