| CAS Number | 21367-89-5 |
| Catalog Number | AG00C2SZ(AGN-PC-0NJ61B) |
| Chemical Name | Ethyl 3-chloropropanimidoate hydrochloride |
| IUPAC Name | ethyl 3-chloropropanimidate;hydrochloride |
| InChI | InChI=1S/C5H10ClNO.ClH/c1-2-8-5(7)3-4-6;/h7H,2-4H2,1H3;1H |
| InChI Key | YPINVLPNTQCTHB-UHFFFAOYSA-N |
| MDL Number | MFCD11696357 |
| Molecular Formula | C5H11Cl2NO |
| Molecular Weight | 172.0529 |
| NSC Number | 171106 |
| SMILES | Cl.CCOC(CCCl)=N |
| Synonyms | ethyl 3-chloropropanimidoate hydrochloride,
21367-89-5,
ethyl 3-chloropropanecarboximidate hydrochloride,
Ethyl 3-chloropropanimidate hydrochloride,
SCHEMBL3991927,
CTK6H7224,
DTXSID40500337,
KS-00001KQ9,
7257AD,
MFCD11696357,
NSC171106,
AKOS015845989,
NSC-171106,
TR-057777,
Ethyl 3-chloropropanimidate--hydrogen chloride (1/1),
Propanimidic acid, 3-chloro-, ethyl ester, hydrochloride,
C5H11Cl2NO,
|
| Complexity | 74.8 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.049g/mol |
| Monoisotopic Mass | 171.022g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 33.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number