3-(Boc-amino)-1-phenyl-2-butanone - CAS 1423025-86-8
Catalog: |
BB009343 |
Product Name: |
3-(Boc-amino)-1-phenyl-2-butanone |
CAS: |
1423025-86-8 |
Synonyms: |
N-(3-oxo-4-phenylbutan-2-yl)carbamic acid tert-butyl ester; tert-butyl N-(3-oxo-4-phenylbutan-2-yl)carbamate |
IUPAC Name: | tert-butyl N-(3-oxo-4-phenylbutan-2-yl)carbamate |
Description: | 3-(Boc-amino)-1-phenyl-2-butanone (CAS# 1423025-86-8 ) is a useful research chemical. |
Molecular Weight: | 263.33 |
Molecular Formula: | C15H21NO3 |
Canonical SMILES: | CC(C(=O)CC1=CC=CC=C1)NC(=O)OC(C)(C)C |
InChI: | InChI=1S/C15H21NO3/c1-11(16-14(18)19-15(2,3)4)13(17)10-12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3,(H,16,18) |
InChI Key: | RAOTXZXQIDCGHL-UHFFFAOYSA-N |
LogP: | 3.10230 |
Publication Number | Title | Priority Date |
WO-2013030138-A1 | Pyrrolopyrazine kinase inhibitors | 20110901 |
AU-2011349669-A1 | Heterocyclic compounds and their uses | 20101223 |
CA-2822590-A1 | Heterocyclic compounds and their uses | 20101223 |
EP-2655342-A1 | Heterocyclic compounds and their uses | 20101223 |
US-2013267526-A1 | Heterocyclic compounds and their uses | 20101223 |
Complexity: | 314 |
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: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 263.15214353 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 55.4 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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