| CAS Number | 62421-54-9 |
| Catalog Number | AG00EM0V(AGN-PC-0T4BM2) |
| Chemical Name | 1,2-NAPHTHALENEDIOL, 6-(DIPROPYLAMINO)-5,6,7,8-TETRAHYDRO-, HYDROBROMIDE |
| IUPAC Name | 6-(dipropylamino)-5,6,7,8-tetrahydronaphthalene-1,2-diol;hydrobromide |
| InChI | InChI=1S/C16H25NO2.BrH/c1-3-9-17(10-4-2)13-6-7-14-12(11-13)5-8-15(18)16(14)19;/h5,8,13,18-19H,3-4,6-7,9-11H2,1-2H3;1H |
| InChI Key | AFMKMGDVVQKHAZ-UHFFFAOYSA-N |
| MDL Number | MFCD10565881 |
| Molecular Formula | C16H26BrNO2 |
| Molecular Weight | 344.2871 |
| SMILES | CCCN(CCC)C1CCC2=C(C1)C=CC(=C2O)O.Br |
| Synonyms | TL 102 hydrobromide,
DPAT, 5,6-Dihydroxy-,
CHEMBL3228929,
AKOS030528467,
62421-54-9,
6-Dipropylamino-5,6,7,8-tetrahydro-naphthalene-1,2-diol hydrobromide,
1,2-Naphthalenediol, 6-(dipropylamino)-5,6,7,8-tetrahydro-, hydrobromide,
64309-39-3,
|
| Complexity | 266 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 343.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 344.293g/mol |
| Monoisotopic Mass | 343.115g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 43.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number