| CAS Number | 875156-97-1 |
| Catalog Number | AG00GUC3 |
| Chemical Name | 2-CYANO-N-(4-METHOXYBENZYL)ACETAMIDE |
| IUPAC Name | ethyl 4-[(2-chloroacetyl)amino]piperidine-1-carboxylate |
| InChI | InChI=1S/C10H17ClN2O3/c1-2-16-10(15)13-5-3-8(4-6-13)12-9(14)7-11/h8H,2-7H2,1H3,(H,12,14) |
| InChI Key | QHXPNDBRFVFWIV-UHFFFAOYSA-N |
| MDL Number | MFCD01418247 |
| Molecular Formula | C10H17ClN2O3 |
| Molecular Weight | 248.7066 |
| SMILES | O=C(N1CCC(NC(CCl)=O)CC1)OCC |
| Synonyms | ethyl 4-[(chloroacetyl)amino]piperidine-1-carboxylate,
ethyl 4-(2-chloroacetamido)piperidine-1-carboxylate,
875156-97-1,
CTK6F9311,
ZINC4219120,
BBL006045,
HTS004725,
STL135911,
AKOS000205439,
MCULE-6919472180,
NE13727,
BS-10035,
EN300-23210,
AC1OFMB9,
C10H17ClN2O3,
AC1Q356Z,
2-cyano-N-(4-methoxybenzyl)acetamide,
ZINC04219120,
CID7131816,
ethyl 4-[(2-chloroacetyl)amino]piperidine-1-carboxylate,
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.09277g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.7g/mol |
| Monoisotopic Mass | 248.09277g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 58.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number