| CAS Number | 1177349-04-0 |
| Catalog Number | AG0094CM(AGN-PC-00W92H) |
| Chemical Name | 3-Methyl-4-(4-methylpiperazin-1-yl)aniline DiHCl |
| IUPAC Name | 3-methyl-4-(4-methylpiperazin-1-yl)aniline;dihydrochloride |
| InChI | InChI=1S/C12H19N3.2ClH/c1-10-9-11(13)3-4-12(10)15-7-5-14(2)6-8-15;;/h3-4,9H,5-8,13H2,1-2H3;2*1H |
| InChI Key | AVLOESLHJWDSDP-UHFFFAOYSA-N |
| MDL Number | MFCD07850242 |
| Molecular Formula | C12H21Cl2N3 |
| Molecular Weight | 278.2212 |
| SMILES | Cl.Cl.CN1CCN(C2=C(C)C=C(N)C=C2)CC1 |
| Synonyms | 3-methyl-4-(4-methylpiperazin-1-yl)aniline dihydrochloride,
1177349-04-0,
3-Methyl-4-(4-methylpiperazin-1-yl)aniline DiHCl,
AC1Q3AIT,
C12H19N3.2HCl,
CTK6I3041,
DTXSID90585851,
ANW-53568,
MFCD07850242,
AKOS015999255,
MCULE-5632995769,
TC-142313,
ST24022946,
Z7852,
EN300-23514,
B-6525,
Z169511994,
3-Methyl-4-(4-methylpiperazin-1-yl)aniline--hydrogen chloride (1/2),
3-Methyl-4-(4-methylpiperazin-1-yl)anilinedihydrochloride,
|
| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.221g/mol |
| Monoisotopic Mass | 277.111g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 32.5A^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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