Ethyl 2-[trans-4-(Ethylcarbamoyl)cyclohexyl]acetate - CAS 669080-91-5
Catalog: |
BB033137 |
Product Name: |
Ethyl 2-[trans-4-(Ethylcarbamoyl)cyclohexyl]acetate |
CAS: |
669080-91-5 |
Synonyms: |
2-[4-(ethylcarbamoyl)cyclohexyl]acetic acid ethyl ester; ethyl 2-[4-(ethylcarbamoyl)cyclohexyl]acetate |
IUPAC Name: | ethyl 2-[4-(ethylcarbamoyl)cyclohexyl]acetate |
Description: | Ethyl 2-[trans-4-(Ethylcarbamoyl)cyclohexyl]acetate (CAS# 669080-91-5 ) is a useful research chemical. |
Molecular Weight: | 241.33 |
Molecular Formula: | C13H23NO3 |
Canonical SMILES: | CCNC(=O)C1CCC(CC1)CC(=O)OCC |
InChI: | InChI=1S/C13H23NO3/c1-3-14-13(16)11-7-5-10(6-8-11)9-12(15)17-4-2/h10-11H,3-9H2,1-2H3,(H,14,16) |
InChI Key: | GUUBSIHUXPCIFE-UHFFFAOYSA-N |
LogP: | 2.27300 |
Publication Number | Title | Priority Date |
EP-2383253-A1 | Method for manufacturing trans-{4-ý(alkyl amino) methyl¨cyclohexyl} acetic ester | 20081128 |
EP-2383253-B1 | Method for manufacturing trans-{4-[(alkyl amino) methyl]cyclohexyl} acetic ester | 20081128 |
US-2011288328-A1 | Method for preparing trans-acetic acid ester | 20081128 |
US-8841478-B2 | Method for preparing trans-{4-[(alkylamino) methyl]- cyclohexyl}acetic acid ester | 20081128 |
WO-2010061621-A1 | Method for manufacturing trans-{4-[(alkyl amino) methyl] cyclohexyl} acetic ester | 20081128 |
Complexity: | 257 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 241.1677936 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 241.1677936 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 55.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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