| CAS Number | 823790-74-5 |
| Catalog Number | AG00GA8G(AGN-PC-0ULXMK) |
| Chemical Name | Benzenemethanamine, 3,4-dichloro-.alpha.-methyl-, hydrochloride (1 |
| IUPAC Name | (1S)-1-(3,4-dichlorophenyl)ethanamine;hydrochloride |
| InChI | InChI=1S/C8H9Cl2N.ClH/c1-5(11)6-2-3-7(9)8(10)4-6;/h2-5H,11H2,1H3;1H/t5-;/m0./s1 |
| InChI Key | LTTRKULQEVDRNO-JEDNCBNOSA-N |
| MDL Number | MFCD12757838 |
| Molecular Formula | C8H10Cl3N |
| Molecular Weight | 226.5307 |
| SMILES | C[C@H](N)C1=CC=C(Cl)C(Cl)=C1.[H]Cl |
| Synonyms | 823790-74-5,
(S)-1-(3,4-dichlorophenyl)ethanamine hydrochloride,
(1S)-1-(3,4-dichlorophenyl)ethan-1-amine hydrochloride,
(S)-1-(3,4-DICHLOROPHENYL)ETHANAMINE HCL,
DTXSID80679970,
MFCD12757838,
AKOS015916998,
NE24304,
RL05136,
S01-0770,
Benzenemethanamine, 3,4-dichloro-.alpha.-methyl-, hydrochloride (1,
(1S)-1-(3,4-Dichlorophenyl)ethan-1-amine--hydrogen chloride (1/1),
(S)-1-(3,4-Dichlorophenyl)ethanaminehydrochloride,
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| Complexity | 129 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.988g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.525g/mol |
| Monoisotopic Mass | 224.988g/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