| CAS Number | 182210-74-8 |
| Catalog Number | AG00ATE1(AGN-PC-0QC593) |
| Chemical Name | (S)-5-Hydroxy-DPAT hydrobromide |
| IUPAC Name | (6S)-6-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide |
| InChI | InChI=1S/C16H25NO.BrH/c1-3-10-17(11-4-2)14-8-9-15-13(12-14)6-5-7-16(15)18;/h5-7,14,18H,3-4,8-12H2,1-2H3;1H/t14-;/m0./s1 |
| InChI Key | QHPNEGRNHVBQOB-UQKRIMTDSA-N |
| MDL Number | MFCD10565884 |
| Molecular Formula | C16H26BrNO |
| Molecular Weight | 328.2877 |
| SMILES | CCCN(CCC)C1CCC2=C(C1)C=CC=C2O.Br |
| Synonyms | DPAT, (S)-5-OH-,
(S)-5-Hydroxy-DPAT hydrobromide,
182210-74-8,
68643-08-3,
(S)-6-Dipropylamino-5,6,7,8-tetrahydro-naphthalen-1-ol hydrobromide,
-5-HYDROXY-DPATHYDROBROMIDE,
Hydroxy-DPAT hydrobromide, (S)-5- - DPAT, (S)-5-OH-,
|
| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 327.12g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 328.294g/mol |
| Monoisotopic Mass | 327.12g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 23.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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