| CAS Number | 95130-23-7 |
| Catalog Number | AG01EPP7(AGN-PC-0W4PH3) |
| Chemical Name | 3-(cyclohexylamino)-2,3-dihydro-2-(phenylmethylene)-1H-inden-1-one,monohydrochloride |
| IUPAC Name | (2E)-2-benzylidene-3-(cyclohexylamino)-3H-inden-1-one;hydrochloride |
| InChI | InChI=1S/C22H23NO.ClH/c24-22-19-14-8-7-13-18(19)21(23-17-11-5-2-6-12-17)20(22)15-16-9-3-1-4-10-16;/h1,3-4,7-10,13-15,17,21,23H,2,5-6,11-12H2;1H/b20-15+; |
| InChI Key | JPATUDRDKCLPTI-QMGGKDRNSA-N |
| MDL Number | MFCD16875416 |
| Molecular Formula | C22H24ClNO |
| Molecular Weight | 353.8851 |
| SMILES | Cl.C(C1=CC=CC=C1)=C1C(C2=CC=CC=C2C1NC1CCCCC1)=O |
| Synonyms | (E/Z)-BCI hydrochloride,
NSC 150117 hydrochloride,
95130-23-7,
BCI hydrochloride,
SCHEMBL6116091,
2-Benzylidene-3-(cyclohexylamino)-2,3-dihydro-1H-inden-1-one hydrochloride,
AOB5634,
3-(cyclohexylamino)-2,3-dihydro-2-(phenylmethylene)-1H-inden-1-one,monohydrochloride,
1245792-51-1,
|
| Complexity | 470 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 353.155g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 353.89g/mol |
| Monoisotopic Mass | 353.155g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number