| CAS Number | 318271-37-3 |
| Catalog Number | AG00I616(AGN-PC-0WQYG1) |
| Chemical Name | ethyl 4-(2-chloroacetamido)butanoate |
| IUPAC Name | ethyl 4-[(2-chloroacetyl)amino]butanoate |
| InChI | InChI=1S/C8H14ClNO3/c1-2-13-8(12)4-3-5-10-7(11)6-9/h2-6H2,1H3,(H,10,11) |
| InChI Key | VBKNZNUFKTZHJJ-UHFFFAOYSA-N |
| MDL Number | MFCD00456232 |
| Molecular Formula | C8H14ClNO3 |
| Molecular Weight | 207.6547 |
| SMILES | CCOC(CCCNC(CCl)=O)=O |
| Synonyms | ethyl 4-(2-chloroacetamido)butanoate,
4-(2-Chloro-acetylamino)-butyric acid ethyl ester,
318271-37-3,
AC1M4FED,
AC1Q34S9,
CTK6F8736,
ZINC3163053,
MFCD00456232,
AKOS001132837,
MCULE-3624217335,
NE24858,
NCGC00337754-01,
ethyl 4-[(2-chloroacetyl)amino]butanoate,
EN300-04430,
AB01329416-02,
ZINC03163053,
CID2306732,
|
| Complexity | 173 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.654g/mol |
| Monoisotopic Mass | 207.066g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number