2-(2-Chloroethyl)piperidine-1-carboxylic Acid Ethyl Ester - CAS 865076-02-4
Catalog: |
BB069319 |
Product Name: |
2-(2-Chloroethyl)piperidine-1-carboxylic Acid Ethyl Ester |
CAS: |
865076-02-4 |
Synonyms: |
ethyl 2-(2-chloroethyl)piperidine-1-carboxylate; 2-(2-Chloroethyl)piperidine-1-carboxylic acid ethyl ester; 2-(2-chloroethyl)piperidine-1-carboxylic acidethyl ester; 2-(2-Chloro-ethyl)-piperidine-1-carboxylic acid ethyl ester |
IUPAC Name: | ethyl 2-(2-chloroethyl)piperidine-1-carboxylate |
Description: | 2-(2-Chloroethyl)piperidine-1-carboxylic Acid Ethyl Ester is a useful reagent in preparation of substituted purinamines as antitumor agents. |
Molecular Weight: | 219.7 |
Molecular Formula: | C10H18NO2Cl |
Canonical SMILES: | CCOC(=O)N1CCCCC1CCCl |
InChI: | InChI=1S/C10H18ClNO2/c1-2-14-10(13)12-8-4-3-5-9(12)6-7-11/h9H,2-8H2,1H3 |
InChI Key: | LEYIPJCZAUNTHU-UHFFFAOYSA-N |
References: | Bajji, A., et al. PCT Int. Appl. (2007), WO 2007134298 A2 20071122.. |
Complexity: | 187 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 219.1026065 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 219.1026065 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 29.5Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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