| CAS Number | 252637-91-5 |
| Catalog Number | AG01A5W2 |
| Chemical Name | α-Amino-2-naphthaleneacetonitrile |
| IUPAC Name | 2-amino-2-naphthalen-2-ylacetonitrile |
| InChI | InChI=1S/C12H10N2/c13-8-12(14)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12H,14H2 |
| InChI Key | ZUHUNJFWSTWMJL-UHFFFAOYSA-N |
| MDL Number | MFCD09732818 |
| Molecular Formula | C12H10N2 |
| Molecular Weight | 182.2212 |
| SMILES | NC(C1=CC2=C(C=CC=C2)C=C1)C#N |
| Synonyms | 2-amino-2-(naphthalen-2-yl)acetonitrile,
252637-91-5,
SCHEMBL7872332,
CTK7C5178,
AMINO(2-NAPHTHYL)ACETONITRILE,
AKOS000141385,
NE54154,
2-amino-2-naphthalen-2-yl-acetonitrile,
CID11651254,
|
| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.226g/mol |
| Monoisotopic Mass | 182.084g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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