4-(Boc-aminoethyloxy)benzonitrile - CAS 919085-52-2
Catalog: |
BB040380 |
Product Name: |
4-(Boc-aminoethyloxy)benzonitrile |
CAS: |
919085-52-2 |
Synonyms: |
N-[2-(4-cyanophenoxy)ethyl]carbamic acid tert-butyl ester; tert-butyl N-[2-(4-cyanophenoxy)ethyl]carbamate |
IUPAC Name: | tert-butyl N-[2-(4-cyanophenoxy)ethyl]carbamate |
Description: | 4-(Boc-aminoethyloxy)benzonitrile (CAS# 919085-52-2) is a useful research chemical. |
Molecular Weight: | 262.30 |
Molecular Formula: | C14H18N2O3 |
Canonical SMILES: | CC(C)(C)OC(=O)NCCOC1=CC=C(C=C1)C#N |
InChI: | InChI=1S/C14H18N2O3/c1-14(2,3)19-13(17)16-8-9-18-12-6-4-11(10-15)5-7-12/h4-7H,8-9H2,1-3H3,(H,16,17) |
InChI Key: | LTUFIJMRYINTOU-UHFFFAOYSA-N |
LogP: | 2.66618 |
Publication Number | Title | Priority Date |
WO-2019244066-A2 | Pyridin-3-yl acetic acid derivatives as inhibitors of human immunodeficiency virus replication | 20180619 |
US-2016333012-A1 | Compounds and compositions for the treatment of parasitic diseases | 20121119 |
US-9926314-B2 | Compounds and compositions for the treatment of parasitic diseases | 20121119 |
US-2010222574-A1 | Cyclic anilino - pyridinotriazines | 20050630 |
US-8778919-B2 | Cyclic anilinoâ€"pyridinotriazines | 20050630 |
Complexity: | 332 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 262.13174244 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 262.13174244 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 71.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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