| CAS Number | 1214085-79-6 |
| Catalog Number | AG00J3H2 |
| Chemical Name | 2-(4-Methylpiperazin-1-yl)propanoic acid dihydrochloride |
| IUPAC Name | 2-(4-methylpiperazin-1-yl)propanoic acid;dihydrochloride |
| InChI | InChI=1S/C8H16N2O2.2ClH/c1-7(8(11)12)10-5-3-9(2)4-6-10;;/h7H,3-6H2,1-2H3,(H,11,12);2*1H |
| InChI Key | PKNRKZSHJWXBRW-UHFFFAOYSA-N |
| MDL Number | MFCD12197195 |
| Molecular Formula | C8H18Cl2N2O2 |
| Molecular Weight | 245.1467 |
| SMILES | Cl.Cl.CC(C(O)=O)N1CCN(C)CC1 |
| Synonyms | 2-(4-methylpiperazin-1-yl)propanoic acid dihydrochloride,
1214085-79-6,
AC1Q3A6H,
(R)-2-(4-Methylpiperazin-1-yl)propanoic acid dihydrochloride,
SCHEMBL18662585,
CTK6A3336,
DTXSID50672559,
2091135-38-3,
MFCD12197195,
AKOS008115963,
MCULE-8734004676,
NE22896,
FT-0684135,
EN300-45384,
I04-4678,
2-(4-methyl-1-piperazinyl)propanoic acid dihydrochloride,
2-(4-Methylpiperazin-1-yl)propanoic acid--hydrogen chloride (1/2),
938146-50-0,
|
| Complexity | 164 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.144g/mol |
| Monoisotopic Mass | 244.075g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number