| CAS Number | 923106-59-6 |
| Catalog Number | AG019K8V |
| Chemical Name | 2-[4-(Chloroacetyl)piperazin-1-yl]-3-methylbutanenitrile |
| IUPAC Name | 2-[4-(2-chloroacetyl)piperazin-1-yl]-3-methylbutanenitrile |
| InChI | InChI=1S/C11H18ClN3O/c1-9(2)10(8-13)14-3-5-15(6-4-14)11(16)7-12/h9-10H,3-7H2,1-2H3 |
| InChI Key | CUOXUUYLMGOTPC-UHFFFAOYSA-N |
| MDL Number | MFCD23381850 |
| Molecular Formula | C11H18ClN3O |
| Molecular Weight | 243.7331 |
| SMILES | CC(C(N1CCN(C(CCl)=O)CC1)C#N)C |
| Synonyms | 2-[4-(2-chloroacetyl)piperazin-1-yl]-3-methylbutanenitrile,
923106-59-6,
2-[4-(chloroacetyl)piperazin-1-yl]-3-methylbutanenitrile,
EN300-25981,
AC1Q1O0D,
CTK6H5039,
AKOS030685944,
MCULE-9569423631,
NE26088,
UPCMLD0ENAT5666511:001,
|
| Complexity | 289 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.114g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.735g/mol |
| Monoisotopic Mass | 243.114g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 47.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number