Ethyl 2-(1-Benzylpiperidin-4-ylidene)acetate - CAS 40110-55-2
Catalog: |
BB024314 |
Product Name: |
Ethyl 2-(1-Benzylpiperidin-4-ylidene)acetate |
CAS: |
40110-55-2 |
Synonyms: |
2-[1-(phenylmethyl)-4-piperidinylidene]acetic acid ethyl ester; ethyl 2-(1-benzylpiperidin-4-ylidene)acetate |
IUPAC Name: | ethyl 2-(1-benzylpiperidin-4-ylidene)acetate |
Description: | Ethyl 2-(1-Benzylpiperidin-4-ylidene)acetate (CAS# 40110-55-2) is a useful research chemical compound. |
Molecular Weight: | 259.34 |
Molecular Formula: | C16H21NO2 |
Canonical SMILES: | CCOC(=O)C=C1CCN(CC1)CC2=CC=CC=C2 |
InChI: | InChI=1S/C16H21NO2/c1-2-19-16(18)12-14-8-10-17(11-9-14)13-15-6-4-3-5-7-15/h3-7,12H,2,8-11,13H2,1H3 |
InChI Key: | ZKKOLEGJTTYPDH-UHFFFAOYSA-N |
Boiling Point: | 130 °C / 0.75 mmHg |
Density: | 1.129 g/cm3 |
MDL: | MFCD08437068 |
LogP: | 2.70980 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020048829-A1 | 3,9-diazaspiro[5.5]undecane compounds | 20180903 |
TW-202024083-A | 3,9-diazaspiro[5.5]undecane compounds | 20180903 |
WO-2019142900-A1 | Method for producing n-alkoxycarbonylpiperidine derivative, and intermediate therefor | 20180119 |
WO-2019142901-A1 | Method for producing 1-(1-tert-butoxycarbonyl-4-piperidylacetyl)-4-mesyloxypiperidine and 1-(1-tert-butoxycarbonyl-4-piperidylacetyl)-4-mesyloxypiperidine | 20180119 |
CN-111868030-A | Preparation method of 1- (1-tert-butyloxycarbonyl-4-piperidylacetyl) -4-methylsulfonyloxypiperidine and 1- (1-tert-butyloxycarbonyl-4-piperidylacetyl) -4-methylsulfonyloxypiperidine | 20180119 |
Complexity: | 309 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 259.157228913 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 259.157228913 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 29.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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