| CAS Number | 1193390-34-9 |
| Catalog Number | AG018SEO(AGN-PC-0WBQE8) |
| Chemical Name | methyl[3-(1-methyl-5-phenyl-1H-pyrazol-3-yl)propyl]amine dihydrochloride |
| IUPAC Name | N-methyl-3-(1-methyl-5-phenylpyrazol-3-yl)propan-1-amine;dihydrochloride |
| InChI | InChI=1S/C14H19N3.2ClH/c1-15-10-6-9-13-11-14(17(2)16-13)12-7-4-3-5-8-12;;/h3-5,7-8,11,15H,6,9-10H2,1-2H3;2*1H |
| InChI Key | YKIVLXCSRAEBLR-UHFFFAOYSA-N |
| MDL Number | MFCD12912793 |
| Molecular Formula | C14H21Cl2N3 |
| Molecular Weight | 302.2426 |
| SMILES | Cl.Cl.CNCCCC1=NN(C)C(C2=CC=CC=C2)=C1 |
| Synonyms | methyl[3-(1-methyl-5-phenyl-1H-pyrazol-3-yl)propyl]amine dihydrochloride,
1193390-34-9,
methyl[3-(1-methyl-5-phenylpyrazol-3-yl)propyl]amine dihydrochloride,
AC1Q3AJV,
CTK6I5619,
AKOS026677357,
MCULE-9972481906,
NE36215,
EN300-50007,
F8889-9274,
Z600428532,
|
| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 301.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 302.243g/mol |
| Monoisotopic Mass | 301.111g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 29.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number