N-Boc-2-naphthylamine - CAS 454713-45-2
Catalog: |
BB025883 |
Product Name: |
N-Boc-2-naphthylamine |
CAS: |
454713-45-2 |
Synonyms: |
N-(2-naphthalenyl)carbamic acid tert-butyl ester; tert-butyl N-naphthalen-2-ylcarbamate |
IUPAC Name: | tert-butyl N-naphthalen-2-ylcarbamate |
Description: | Used for the synthesis of biphenyl-carbamate, the most active analog of Rhazinilam, an antitumor agent. |
Molecular Weight: | 243.30 |
Molecular Formula: | C15H17NO2 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1=CC2=CC=CC=C2C=C1 |
InChI: | InChI=1S/C15H17NO2/c1-15(2,3)18-14(17)16-13-9-8-11-6-4-5-7-12(11)10-13/h4-10H,1-3H3,(H,16,17) |
InChI Key: | AZFIXUGFEFRFQJ-UHFFFAOYSA-N |
LogP: | 4.20040 |
Publication Number | Title | Priority Date |
WO-2019184089-A1 | Compound, preparation method therefor and application thereof | 20180329 |
CN-109983014-A | Saltant type isocitric dehydrogenase inhibitor, composition and its method | 20161011 |
CN-110049780-A | Isoquinolin and benzodiazepine (IQB) -1 (chloromethyl) -2,3- dihydro -1H- benzo [E] indoles (CBI) dimer | 20161010 |
AU-2010303343-A1 | Purine derivatives useful as HSP90 inhibitors | 20091007 |
AU-2010303343-B2 | Purine derivatives useful as HSP90 inhibitors | 20091007 |
Complexity: | 295 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 243.125928785 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 243.125928785 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 38.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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