| CAS Number | 1624261-51-3 |
| Catalog Number | AG001T4M(AGN-PC-0WANF0) |
| Chemical Name | Benzeneethanol, β-amino-3,4-dichloro-, hydrochloride (1:1), (βS)- |
| IUPAC Name | (2S)-2-amino-2-(3,4-dichlorophenyl)ethanol;hydrochloride |
| InChI | InChI=1S/C8H9Cl2NO.ClH/c9-6-2-1-5(3-7(6)10)8(11)4-12;/h1-3,8,12H,4,11H2;1H/t8-;/m1./s1 |
| InChI Key | MHVBQPIPUIGSRB-DDWIOCJRSA-N |
| MDL Number | MFCD18375622 |
| Molecular Formula | C8H10Cl3NO |
| Molecular Weight | 242.5301 |
| SMILES | ClC1=CC=C([C@H](N)CO)C=C1Cl.[H]Cl |
| Synonyms | 1624261-51-3,
(S)-2-Amino-2-(3,4-dichlorophenyl)ethanol hydrochloride,
AK159392,
SCHEMBL19554827,
KS-00000SIE,
MFCD25372100,
AKOS024462848,
GS-7226,
W-3872,
(2S)-2-AMINO-2-(3,4-DICHLOROPHENYL)ETHAN-1-OL HCl,
(2S)-2-amino-2-(3,4-dichlorophenyl)ethan-1-ol hydrochloride,
Benzeneethanol, beta-amino-3,4-dichloro-, hydrochloride (1:1), (betaS)-,
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| Complexity | 145 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.983g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.524g/mol |
| Monoisotopic Mass | 240.983g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.2A^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