| CAS Number | 850570-33-1 |
| Catalog Number | AG019LQX(AGN-PC-0NHX44) |
| Chemical Name | 4-[(2-methylpropyl)amino]benzonitrile |
| IUPAC Name | 4-(2-methylpropylamino)benzonitrile |
| InChI | InChI=1S/C11H14N2/c1-9(2)8-13-11-5-3-10(7-12)4-6-11/h3-6,9,13H,8H2,1-2H3 |
| InChI Key | DXPLOSDESAFWSC-UHFFFAOYSA-N |
| MDL Number | MFCD11145736 |
| Molecular Formula | C11H14N2 |
| Molecular Weight | 174.2423 |
| SMILES | CC(CNC1=CC=C(C#N)C=C1)C |
| Synonyms | 4-[(2-methylpropyl)amino]benzonitrile,
850570-33-1,
4-(Isobutylamino)benzonitrile,
SCHEMBL18412373,
ZINC19950850,
AKOS000239840,
Z168802628,
|
| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.247g/mol |
| Monoisotopic Mass | 174.116g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
Lot Number