(2-Cyanoethyl)ethyl-carbamic Acid tert-Butyl Ester - CAS 170018-97-0
Catalog: |
BB062595 |
Product Name: |
(2-Cyanoethyl)ethyl-carbamic Acid tert-Butyl Ester |
CAS: |
170018-97-0 |
Synonyms: |
(2-Cyanoethyl)ethyl-carbamic Acid 1,1-Dimethylethyl Ester; tert-Butyl N-(2-Cyanoethyl)-N-(ethyl)carbamate |
IUPAC Name: | tert-butyl N-(2-cyanoethyl)-N-ethylcarbamate |
Description: | (2-Cyanoethyl)ethyl-carbamic Acid tert-Butyl Ester is a reactant used in the preparation of aralkylamines as neuroprotectants. |
Molecular Weight: | 198.26 |
Molecular Formula: | C10H18N2O2 |
Canonical SMILES: | CCN(CCC#N)C(=O)OC(C)(C)C |
InChI: | InChI=1S/C10H18N2O2/c1-5-12(8-6-7-11)9(13)14-10(2,3)4/h5-6,8H2,1-4H3 |
InChI Key: | XRDFAXVFALILIJ-UHFFFAOYSA-N |
Solubility: | Dichloromethane, Diethyl Ether |
Appearance: | Clear Liquid |
Complexity: | 234 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 198.136827821 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 198.136827821 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 53.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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