| CAS Number | 1118787-56-6 |
| Catalog Number | AG019UEX |
| Chemical Name | 3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)aniline |
| IUPAC Name | 3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)aniline |
| InChI | InChI=1S/C13H15N3/c14-10-5-3-4-9(8-10)13-11-6-1-2-7-12(11)15-16-13/h3-5,8H,1-2,6-7,14H2,(H,15,16) |
| InChI Key | KVBOMBWNRTZOAU-UHFFFAOYSA-N |
| MDL Number | MFCD11857816 |
| Molecular Formula | C13H15N3 |
| Molecular Weight | 213.2783 |
| SMILES | NC1=CC(C2C3=C(CCCC3)NN=2)=CC=C1 |
| Synonyms | 3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)aniline,
1118787-56-6,
CTK7D8856,
AC1Q5279,
ZINC32628092,
MCULE-1435101573,
EN300-41444,
AB01002776-01,
|
| Complexity | 243 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.284g/mol |
| Monoisotopic Mass | 213.127g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number