| CAS Number | 1423032-38-5 |
| Catalog Number | AG01A0YB(AGN-PC-0WOCCL) |
| Chemical Name | 2-(1,4-dimethylpiperazin-2-yl)acetonitrile |
| IUPAC Name | 2-(1,4-dimethylpiperazin-2-yl)acetonitrile |
| InChI | InChI=1S/C8H15N3/c1-10-5-6-11(2)8(7-10)3-4-9/h8H,3,5-7H2,1-2H3 |
| InChI Key | RCNVUOMIKSCKCH-UHFFFAOYSA-N |
| MDL Number | MFCD22565858 |
| Molecular Formula | C8H15N3 |
| Molecular Weight | 153.2248 |
| SMILES | CN1CC(CC#N)N(C)CC1 |
| Synonyms | 2-(1,4-dimethylpiperazin-2-yl)acetonitrile,
1423032-38-5,
SCHEMBL16122264,
AKOS023876823,
NE16957,
|
| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 153.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 153.229g/mol |
| Monoisotopic Mass | 153.127g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 30.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
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