| CAS Number | 1810074-56-6 |
| Catalog Number | AG0022KW(AGN-PC-0WAM92) |
| Chemical Name | 2H-1-Benzopyran-4-amine, 6-bromo-3,4-dihydro-, hydrochloride (1:1), (4S)- |
| IUPAC Name | (4S)-6-bromo-3,4-dihydro-2H-chromen-4-amine;hydrochloride |
| InChI | InChI=1S/C9H10BrNO.ClH/c10-6-1-2-9-7(5-6)8(11)3-4-12-9;/h1-2,5,8H,3-4,11H2;1H/t8-;/m0./s1 |
| InChI Key | PNIHBTMBADOHGA-QRPNPIFTSA-N |
| MDL Number | MFCD24435621 |
| Molecular Formula | C9H11BrClNO |
| Molecular Weight | 264.5467 |
| SMILES | N[C@H]1CCOC2=C1C=C(Br)C=C2.[H]Cl |
| Synonyms | (S)-6-Bromochroman-4-amine hydrochloride,
1810074-56-6,
(4S)-6-bromo-3,4-dihydro-2H-1-benzopyran-4-amine hydrochloride,
KS-00000SZW,
MFCD24435621,
AKOS025395716,
GS-7132,
(S)-6-Bromochroman-4-ylamine hydrochloride,
AX8297098,
2H-1-Benzopyran-4-amine, 6-bromo-3,4-dihydro-, hydrochloride (1:1), (4S)-,
ACN-055053,
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| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.971g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.547g/mol |
| Monoisotopic Mass | 262.971g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 35.2A^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