| CAS Number | 1916569-82-8 |
| Catalog Number | AG002FE3(AGN-PC-0WAM9F) |
| Chemical Name | Benzeneethanol, β-amino-4-bromo-, hydrochloride (1:1), (βR)- |
| IUPAC Name | (2R)-2-amino-2-(4-bromophenyl)ethanol;hydrochloride |
| InChI | InChI=1S/C8H10BrNO.ClH/c9-7-3-1-6(2-4-7)8(10)5-11;/h1-4,8,11H,5,10H2;1H/t8-;/m0./s1 |
| InChI Key | PQQGURGSEYFRCS-QRPNPIFTSA-N |
| MDL Number | MFCD12758092 |
| Molecular Formula | C8H11BrClNO |
| Molecular Weight | 252.5360 |
| SMILES | BrC1=CC=C([C@@H](N)CO)C=C1.[H]Cl |
| Synonyms | (R)-2-Amino-2-(4-bromophenyl)ethanol hydrochloride,
1916569-82-8,
(2R)-2-Amino-2-(4-bromophenyl)ethan-1-ol hydrochloride,
(2S)-2-AMINO-2-(4-BROMOPHENYL)ETHAN-1-OL HCl,
SCHEMBL17710303,
PQQGURGSEYFRCS-QRPNPIFTSA-N,
MFCD12758092,
AKOS025395739,
GS-7195,
KS-00000T09,
AX8297077,
CS-0028246,
(R)-2-amino-2-(4-bromophenyl)ethan-1-ol HCl salt,
(2R)-2-AMINO-2-(4-BROMOPHENYL)ETHAN-1-OL HYDROCHLRIDE,
Benzeneethanol, beta-amino-4-bromo-, hydrochloride (1:1), (betaR)-,
354153-64-3,
|
| Complexity | 113 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.971g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.536g/mol |
| Monoisotopic Mass | 250.971g/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