tert-Butyl 1-(Aminomethyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate - CAS 1207175-15-2
Catalog: |
BB057671 |
Product Name: |
tert-Butyl 1-(Aminomethyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate |
CAS: |
1207175-15-2 |
Synonyms: |
tert-Butyl 1-(aminomethyl)-1,2,3,4-tetrahydroisoquinoline-2-carboxylate |
IUPAC Name: | tert-butyl 1-(aminomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate |
Description: | tert-Butyl 1-(Aminomethyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate is a reagent used in the preparation of praziquantel and analogs used as an antischistosomal drug |
Molecular Weight: | 262.34 |
Molecular Formula: | C15H22N2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC2=CC=CC=C2C1CN |
InChI: | InChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-9-8-11-6-4-5-7-12(11)13(17)10-16/h4-7,13H,8-10,16H2,1-3H3 |
InChI Key: | VHKNZTWMVNWAOC-UHFFFAOYSA-N |
References: | Sadhu, P. S., et al. Bioorg. Med. Chem. Lett., 22, 1103 (2012). |
Complexity: | 325 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 262.168127949 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 262.168127949 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55.6Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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