| CAS Number | 77570-15-1 |
| Catalog Number | AG00GA0D(AGN-PC-0NJS7T) |
| Chemical Name | Methyl 4-chlorobutanimidate hydrochloride |
| IUPAC Name | methyl 4-chlorobutanimidate;hydrochloride |
| InChI | InChI=1S/C5H10ClNO.ClH/c1-8-5(7)3-2-4-6;/h7H,2-4H2,1H3;1H |
| InChI Key | BMWHQDHZAVRAJF-UHFFFAOYSA-N |
| MDL Number | MFCD12404920 |
| Molecular Formula | C5H11Cl2NO |
| Molecular Weight | 172.0529 |
| SMILES | Cl.COC(CCCCl)=N |
| Synonyms | Methyl 4-chlorobutanimidate hydrochloride,
77570-15-1,
Methyl 4-Chlorobutanimidoate hydrochloride,
SCHEMBL18007667,
CTK6I6040,
DTXSID70505916,
2164AC,
ANW-67278,
MFCD12404920,
SBB056505,
AKOS016006462,
4-chloro-1-methoxybutanimine, chloride,
AK-89462,
DS-16497,
AX8238019,
TC-156023,
Methyl 3 - chloropropaniMidate hydrochloride,
Methyl 4-chlorobutanimidate--hydrogen chloride (1/1),
C5H11Cl2NO,
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| 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
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number