| CAS Number | 89853-48-5 |
| Catalog Number | AG00JDMW(AGN-PC-0WNLL0) |
| Chemical Name | 3-(4-methyl-1H-pyrazol-1-yl)propanenitrile |
| IUPAC Name | 3-(4-methylpyrazol-1-yl)propanenitrile |
| InChI | InChI=1S/C7H9N3/c1-7-5-9-10(6-7)4-2-3-8/h5-6H,2,4H2,1H3 |
| InChI Key | NNNKVMLNDZRJME-UHFFFAOYSA-N |
| MDL Number | MFCD04050007 |
| Molecular Formula | C7H9N3 |
| Molecular Weight | 135.1665 |
| SMILES | CC1=CN(CCC#N)N=C1 |
| Synonyms | 3-(4-methyl-1H-pyrazol-1-yl)propanenitrile,
89853-48-5,
3-(4-methylpyrazol-1-yl)propanenitrile,
AC1Q2OF5,
AC1NI031,
SCHEMBL14964510,
CTK6C3399,
3-(4-methylpyrazolyl)propanenitrile,
ALBB-014649,
ZINC2526608,
MFCD04050007,
STK305277,
AKOS000306157,
MCULE-1277298066,
NE29832,
1H-pyrazole-1-propanenitrile, 4-methyl-,
ST45073529,
EN300-51709,
Z744754784,
CID4773714,
|
| Complexity | 146 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 135.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 135.17g/mol |
| Monoisotopic Mass | 135.08g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number