2-Boc-6-methoxy-1,2,3,4-tetrahydroisoquinoline - CAS 860436-57-3
Catalog: |
BB037807 |
Product Name: |
2-Boc-6-methoxy-1,2,3,4-tetrahydroisoquinoline |
CAS: |
860436-57-3 |
Synonyms: |
6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester; tert-butyl 6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate |
IUPAC Name: | tert-butyl 6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate |
Description: | 2-Boc-6-methoxy-1,2,3,4-tetrahydroisoquinoline (CAS# 860436-57-3 ) is a useful research chemical. |
Molecular Weight: | 263.33 |
Molecular Formula: | C15H21NO3 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC2=C(C1)C=CC(=C2)OC |
InChI: | InChI=1S/C15H21NO3/c1-15(2,3)19-14(17)16-8-7-11-9-13(18-4)6-5-12(11)10-16/h5-6,9H,7-8,10H2,1-4H3 |
InChI Key: | LQLAKQZVCKYEQC-UHFFFAOYSA-N |
Boiling Point: | 375.326 °C at 760 mmHg |
Density: | 1.104 g/cm3 |
LogP: | 2.92630 |
Publication Number | Title | Priority Date |
TW-201609751-A | Heterocyclic compound | 20140701 |
US-2016237071-A1 | T-type calcium channel inhibitor | 20131002 |
JP-6427491-B2 | Heterocyclic compounds | 20130703 |
TW-201602105-A | Heterocyclic compound | 20130703 |
CA-2824871-A1 | Bicyclic inhibitors of alk | 20110121 |
Complexity: | 324 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 263.15214353 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 263.15214353 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 38.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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