| CAS Number | 878218-09-8 |
| Catalog Number | AG019PKH(AGN-PC-0WOS48) |
| Chemical Name | 3-Methyl-2-piperazin-1-ylbutanenitrile |
| IUPAC Name | 3-methyl-2-piperazin-1-ylbutanenitrile |
| InChI | InChI=1S/C9H17N3/c1-8(2)9(7-10)12-5-3-11-4-6-12/h8-9,11H,3-6H2,1-2H3 |
| InChI Key | YNRKRSARIUEUAT-UHFFFAOYSA-N |
| MDL Number | MFCD08239617 |
| Molecular Formula | C9H17N3 |
| Molecular Weight | 167.2514 |
| SMILES | CC(C(N1CCNCC1)C#N)C |
| Synonyms | 3-methyl-2-(piperazin-1-yl)butanenitrile,
3-methyl-2-piperazin-1-ylbutanenitrile,
878218-09-8,
AC1Q1O0E,
CTK6A4122,
HMS1779D03,
AKOS009087081,
MCULE-9033641833,
NE55675,
EN300-24087,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.256g/mol |
| Monoisotopic Mass | 167.142g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 39.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number