| CAS Number | 1158572-03-2 |
| Catalog Number | AG00J145(AGN-PC-0WBCUW) |
| Chemical Name | {[3-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl}amine hydrochloride |
| IUPAC Name | [5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanamine;hydrochloride |
| InChI | InChI=1S/C10H10ClN3.ClH/c11-9-3-1-7(2-4-9)10-8(5-12)6-13-14-10;/h1-4,6H,5,12H2,(H,13,14);1H |
| InChI Key | UXSYGSYYJLIHFZ-UHFFFAOYSA-N |
| MDL Number | MFCD08146630 |
| Molecular Formula | C10H11Cl2N3 |
| Molecular Weight | 244.1204 |
| SMILES | C1(CN)=CNN=C1C1C=CC(=CC=1)Cl.Cl |
| Synonyms | 1158572-03-2,
([3-(4-Chlorophenyl)-1h-pyrazol-4-yl]methyl)amine hydrochloride,
{[3-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl}amine hydrochloride,
ZX-CM002873,
MFCD11696436,
AKOS024398514,
MCULE-6441104974,
1-[3-(4-CHLOROPHENYL)-1H-PYRAZOL-4-YL]METHANAMINE HYDROCHLORIDE,
1020052-19-0,
|
| Complexity | 180 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.119g/mol |
| Monoisotopic Mass | 243.033g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number