| CAS Number | 1204765-84-3 |
| Catalog Number | AG01C4B3 |
| Chemical Name | Tert-Butyl 8-(Hydroxymethyl)-3,4-Dihydroisoquinoline-2(1H)-Carboxylate |
| IUPAC Name | tert-butyl 8-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate |
| InChI | InChI=1S/C15H21NO3/c1-15(2,3)19-14(18)16-8-7-11-5-4-6-12(10-17)13(11)9-16/h4-6,17H,7-10H2,1-3H3 |
| InChI Key | JUVATTRMXMJVOM-UHFFFAOYSA-N |
| MDL Number | MFCD22127163 |
| Molecular Formula | C15H21NO3 |
| Molecular Weight | 263.3321 |
| SMILES | O=C(N1CC2=C(C=CC=C2CO)CC1)OC(C)(C)C |
| Synonyms | 1204765-84-3,
tert-butyl 8-(hydroxymethyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate,
tert-butyl 8-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-2-carboxylate,
SCHEMBL9913536,
JUVATTRMXMJVOM-UHFFFAOYSA-N,
ZINC166462826,
DA-14462,
FT-0726238,
|
| Complexity | 324 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.337g/mol |
| Monoisotopic Mass | 263.152g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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