| CAS Number | 1193389-93-3 |
| Catalog Number | AG019VUX(AGN-PC-0WCLF6) |
| Chemical Name | (1-Phenyl-1h,4h,5h,6h-cyclopenta[c]pyrazol-3-yl)methanamine hydrochloride |
| IUPAC Name | (1-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methanamine;hydrochloride |
| InChI | InChI=1S/C13H15N3.ClH/c14-9-12-11-7-4-8-13(11)16(15-12)10-5-2-1-3-6-10;/h1-3,5-6H,4,7-9,14H2;1H |
| InChI Key | VJFHTPZYVRHBJA-UHFFFAOYSA-N |
| MDL Number | MFCD12197253 |
| Molecular Formula | C13H16ClN3 |
| Molecular Weight | 249.7392 |
| SMILES | Cl.NCC1C2=C(CCC2)N(C2=CC=CC=C2)N=1 |
| Synonyms | {1-phenyl-1H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}methanamine hydrochloride,
1193389-93-3,
(1-Phenyl-1H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl)methanamine hydrochloride,
AC1Q3D94,
CTK7E6930,
AKOS030233562,
MCULE-8016054505,
NE56235,
EN300-49590,
|
| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.742g/mol |
| Monoisotopic Mass | 249.103g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number