| CAS Number | 1810074-73-7 |
| Catalog Number | AG0022LS(AGN-PC-0WAMAO) |
| Chemical Name | Benzenemethanamine, 4-bromo-N,α-dimethyl-, hydrochloride (1:1), (αS)- |
| IUPAC Name | (1S)-1-(4-bromophenyl)-N-methylethanamine;hydrochloride |
| InChI | InChI=1S/C9H12BrN.ClH/c1-7(11-2)8-3-5-9(10)6-4-8;/h3-7,11H,1-2H3;1H/t7-;/m0./s1 |
| InChI Key | VAXYPWCMBWZLQT-FJXQXJEOSA-N |
| MDL Number | MFCD28977502 |
| Molecular Formula | C9H13BrClN |
| Molecular Weight | 250.5632 |
| SMILES | C[C@H](NC)C1=CC=C(Br)C=C1.[H]Cl |
| Synonyms | 1810074-73-7,
(S)-1-(4-Bromophenyl)-N-methylethanamine hydrochloride,
KS-00000T1C,
MFCD28977502,
AKOS025395797,
GS-7257,
AX8297087,
(S)-1-(4-Bromophenyl)-N-methylethanamine HCl,
[(1S)-1-(4-bromophenyl)ethyl](methyl)amine hydrochloride,
Benzenemethanamine, 4-bromo-N,alpha-dimethyl-, hydrochloride (1:1), (alphaS)-,
VAXYPWCMBWZLQT-FJXQXJEOSA-N,
[(1S)-1-(4-BROMOPHENYL)ETHYL](METHYL)AMINE HCl,
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| Complexity | 108 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.992g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.564g/mol |
| Monoisotopic Mass | 248.992g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 12A^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