| CAS Number | 1285369-36-9 |
| Catalog Number | AG00J3CU(AGN-PC-0WRAUK) |
| Chemical Name | [(5-phenyl-1H-pyrazol-3-yl)methyl]amine hydrochloride |
| IUPAC Name | (3-phenyl-1H-pyrazol-5-yl)methanamine;hydrochloride |
| InChI | InChI=1S/C10H11N3.ClH/c11-7-9-6-10(13-12-9)8-4-2-1-3-5-8;/h1-6H,7,11H2,(H,12,13);1H |
| InChI Key | JBCGHVPHNRYCOG-UHFFFAOYSA-N |
| MDL Number | MFCD13186337 |
| Molecular Formula | C10H12ClN3 |
| Molecular Weight | 209.6754 |
| SMILES | C1(C2=CC=CC=C2)=CC(=NN1)CN.Cl |
| Synonyms | [(5-Phenyl-1H-pyrazol-3-yl)methyl]amine hydrochloride,
1285369-36-9,
ZX-CM014430,
MFCD13186337,
MCULE-3085132218,
(5-phenyl-1h-pyrazol-3-yl)methylamine hydrochloride,
936940-08-8,
|
| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.677g/mol |
| Monoisotopic Mass | 209.072g/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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