Ethyl 3-[Benzyl(methyl)amino]propanoate - CAS 25772-94-5
Catalog: |
BB019026 |
Product Name: |
Ethyl 3-[Benzyl(methyl)amino]propanoate |
CAS: |
25772-94-5 |
Synonyms: |
3-[methyl-(phenylmethyl)amino]propanoic acid ethyl ester; ethyl 3-[benzyl(methyl)amino]propanoate |
IUPAC Name: | ethyl 3-[benzyl(methyl)amino]propanoate |
Description: | Ethyl 3-[Benzyl(methyl)amino]propanoate (CAS# 25772-94-5) is a useful research chemical. |
Molecular Weight: | 221.30 |
Molecular Formula: | C13H19NO2 |
Canonical SMILES: | CCOC(=O)CCN(C)CC1=CC=CC=C1 |
InChI: | InChI=1S/C13H19NO2/c1-3-16-13(15)9-10-14(2)11-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3 |
InChI Key: | XMCDHJNMZJAIRF-UHFFFAOYSA-N |
LogP: | 2.07160 |
Publication Number | Title | Priority Date |
AU-2017290755-A1 | Diazepinone derivatives and their use in the treatment of hepatitis B infections | 20160629 |
CA-3029566-A1 | Diazepinone derivatives and their use in the treatment of hepatitis b infections | 20160629 |
EP-3478683-A1 | Diazepinone derivatives and their use in the treatment of hepatitis b infections | 20160629 |
JP-2019524684-A | Diazepinone derivatives and their use in the treatment of hepatitis B infection | 20160629 |
US-2020181144-A1 | Diazepinone derivatives and their use in the treatment of hepatitis b infections | 20160629 |
Complexity: | 200 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 221.141578849 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 221.141578849 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 29.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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