N-Boc-4-hydroxy-3,4-dihydro-1H-isoquinoline - CAS 681448-77-1
Catalog: |
BB054125 |
Product Name: |
N-Boc-4-hydroxy-3,4-dihydro-1H-isoquinoline |
CAS: |
681448-77-1 |
Synonyms: |
tert-butyl 4-hydroxy-1,2,3,4-tetrahydroisoquinoline-2-carboxylate |
IUPAC Name: | tert-butyl 4-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylate |
Molecular Weight: | 249.30 |
Molecular Formula: | C14H19NO3 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CC(C2=CC=CC=C2C1)O |
InChI: | InChI=1S/C14H19NO3/c1-14(2,3)18-13(17)15-8-10-6-4-5-7-11(10)12(16)9-15/h4-7,12,16H,8-9H2,1-3H3 |
InChI Key: | YEWSLYNGBGAZEV-UHFFFAOYSA-N |
Boiling Point: | 385.1±42.0 °C at 760 mmHg |
Density: | 1.2±0.1 g/cm3 |
Complexity: | 311 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 249.13649347 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 249.13649347 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 49.8 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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