| CAS Number | 1187386-03-3 |
| Catalog Number | AG003CWC(AGN-PC-07XUMW) |
| Chemical Name | 1-(3-Bromo-5-methylpyridin-2-yl)-4-propylpiperazine, HCl |
| IUPAC Name | 1-(3-bromo-5-methylpyridin-2-yl)-4-propylpiperazine;hydrochloride |
| InChI | InChI=1S/C13H20BrN3.ClH/c1-3-4-16-5-7-17(8-6-16)13-12(14)9-11(2)10-15-13;/h9-10H,3-8H2,1-2H3;1H |
| InChI Key | YYIKOOWLPWFGBC-UHFFFAOYSA-N |
| MDL Number | MFCD12913992 |
| Molecular Formula | C13H21BrClN3 |
| Molecular Weight | 334.6829 |
| SMILES | BrC1=CC(C)=CN=C1N1CCN(CCC)CC1.Cl |
| Synonyms | 1187386-03-3,
1-(3-Bromo-5-methylpyridin-2-yl)-4-propylpiperazine hydrochloride,
1-(3-Bromo-5-methylpyridin-2-yl)-4-propylpiperazine, HCl,
1-(3-Bromo-5-methylpyridin-2-yl)-4-propylpiperazine HCl,
C13H20BrN3.HCl,
CTK8B6456,
DTXSID60675399,
ANW-53488,
MFCD12913992,
AKOS015900440,
AX8230300,
TR-034270,
ST24021034,
Z7982,
I13-556,
1-(3-Bromo-5-methylpyridin-2-yl)-4-propylpiperazine,hcl,
1-(3-Bromo-5-methylpyridin-2-yl)-4-propylpiperazine--hydrogen chloride (1/1),
A-5290,
1-(3-Bromo-5-methylpyridin-2-yl)-4-propylpiperazinehydrochloride,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 333.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 334.686g/mol |
| Monoisotopic Mass | 333.061g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 19.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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