| CAS Number | 108858-86-2 |
| Catalog Number | AG008XKN(AGN-PC-00O59X) |
| Chemical Name | 1-(4-Aminophenyl)cyclopropanecarbonitrile |
| IUPAC Name | 1-(4-aminophenyl)cyclopropane-1-carbonitrile |
| InChI | InChI=1S/C10H10N2/c11-7-10(5-6-10)8-1-3-9(12)4-2-8/h1-4H,5-6,12H2 |
| InChI Key | JTMAWZMLYUMWKL-UHFFFAOYSA-N |
| MDL Number | MFCD16622255 |
| Molecular Formula | C10H10N2 |
| Molecular Weight | 158.1998 |
| SMILES | C1=C(C=CC(=C1)N)C2(CC2)C#N |
| Synonyms | 1-(4-Aminophenyl)cyclopropanecarbonitrile,
108858-86-2,
SCHEMBL995890,
JTMAWZMLYUMWKL-UHFFFAOYSA-N,
KS-00003T3T,
MFCD16622255,
ZINC34164078,
AKOS026675727,
SY225539,
TS-02107,
1-(4-Amino-phenyl)-cyclopropanecarbonitrile,
1-(4-aminophenyl)cyclopropane-1-carbonitrile,
Cyclopropanecarbonitrile, 1-(4-aminophenyl)-,
MFCD16622255 (95%),
|
| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 158.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 158.204g/mol |
| Monoisotopic Mass | 158.084g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number