| CAS Number | 89224-42-0 |
| Catalog Number | AG0043H0(AGN-PC-00L8E3) |
| Chemical Name | Ethyl 4-chlorobutanimidoate hydrochloride |
| IUPAC Name | ethyl 4-chlorobutanimidate;hydrochloride |
| InChI | InChI=1S/C6H12ClNO.ClH/c1-2-9-6(8)4-3-5-7;/h8H,2-5H2,1H3;1H |
| InChI Key | RBLIDILSOYWUTJ-UHFFFAOYSA-N |
| MDL Number | MFCD11696356 |
| Molecular Formula | C6H13Cl2NO |
| Molecular Weight | 186.0795 |
| SMILES | Cl.CCOC(CCCCl)=N |
| Synonyms | 89224-42-0,
ethyl 4-chlorobutanimidoate hydrochloride,
ethyl 4-chlorobutanimidate hydrochloride,
Butanimidic acid, 4-chloro-, ethyl ester, hydrochloride,
344329-67-5,
ACMC-20edvu,
SCHEMBL8864784,
CTK2J9335,
DTXSID10523876,
RBLIDILSOYWUTJ-UHFFFAOYSA-N,
MFCD11696356,
AKOS015845990,
ethyl gamma-chlorobutyrimidate hydrochloride,
TR-057776,
Ethyl 4-chlorobutanimidate--hydrogen chloride (1/1),
ethyl 4-chlorobutanecarboximidate hydrochloride,
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| Complexity | 85.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.037g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.076g/mol |
| Monoisotopic Mass | 185.037g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 33.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number