| CAS Number | 1006390-32-4 |
| Catalog Number | AG01FMIV(AGN-PC-3H5MK5) |
| Chemical Name | 2-[4-(Aminomethyl)phenyl]-2-methylpropanenitrile |
| IUPAC Name | 2-[4-(aminomethyl)phenyl]-2-methylpropanenitrile;hydrochloride |
| InChI | InChI=1S/C11H14N2.ClH/c1-11(2,8-13)10-5-3-9(7-12)4-6-10;/h3-6H,7,12H2,1-2H3;1H |
| InChI Key | MLOOZXSQOMGGBX-UHFFFAOYSA-N |
| MDL Number | MFCD20726008 |
| Molecular Formula | C11H14N2 |
| Molecular Weight | 174.2423 |
| SMILES | NCC1=CC=C(C=C1)C(C#N)(C)C |
| Synonyms | 2-(4-(Aminomethyl)phenyl)-2-methylpropanenitrile hydrochloride,
1218909-39-7,
SCHEMBL3125965,
MFCD20726008,
AKOS030627391,
2-(4-(Aminomethyl)phenyl)-2-methylpropanenitrile HCl,
1006390-32-4,
|
| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.705g/mol |
| Monoisotopic Mass | 210.092g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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