| CAS Number | 1221723-50-7 |
| Catalog Number | AG01A887 |
| Chemical Name | Ethyl 2-[(2-cyanoethyl)(cyclopentyl)amino]acetate |
| IUPAC Name | ethyl 2-[2-cyanoethyl(cyclopentyl)amino]acetate |
| InChI | InChI=1S/C12H20N2O2/c1-2-16-12(15)10-14(9-5-8-13)11-6-3-4-7-11/h11H,2-7,9-10H2,1H3 |
| InChI Key | YTSDLLBBIHAWMB-UHFFFAOYSA-N |
| MDL Number | MFCD15209658 |
| Molecular Formula | C12H20N2O2 |
| Molecular Weight | 224.2994 |
| SMILES | CCOC(CN(C1CCCC1)CCC#N)=O |
| Synonyms | ethyl 2-[(2-cyanoethyl)(cyclopentyl)amino]acetate,
1221723-50-7,
EN300-60985,
AC1Q34TR,
CTK6F8830,
ZINC47843863,
AKOS034784275,
MCULE-9498861085,
NE15886,
Z993991074,
|
| Complexity | 263 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.304g/mol |
| Monoisotopic Mass | 224.152g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 53.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number