| CAS Number | 401804-56-6 |
| Catalog Number | AG00C00Y(AGN-PC-0WBV38) |
| Chemical Name | 4-[2-(4-Methylpiperazin-1-yl)ethoxy]benzoic acid |
| IUPAC Name | 4-[2-(4-methylpiperazin-1-yl)ethoxy]benzoic acid |
| InChI | InChI=1S/C14H20N2O3/c1-15-6-8-16(9-7-15)10-11-19-13-4-2-12(3-5-13)14(17)18/h2-5H,6-11H2,1H3,(H,17,18) |
| InChI Key | MKUXKMKQINFDFG-UHFFFAOYSA-N |
| MDL Number | MFCD08146605 |
| Molecular Formula | C14H20N2O3 |
| Molecular Weight | 264.3202 |
| SMILES | CN1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)O |
| Synonyms | 4-[2-(4-Methyl-piperazin-1-yl)-ethoxy]-benzoic acid,
401804-56-6,
4-(2-(4-methylpiperazin-1-yl)ethoxy)benzoic acid,
4-[2-(4-methylpiperazin-1-yl)ethoxy]benzoic acid,
ASN 16463251,
AC1O6PGT,
CTK6I3263,
DTXSID90424716,
2633AE,
ZINC19201190,
AKOS000301679,
MCULE-5416391322,
TR-045470,
ST50401606,
4-[2-(4-methylpiperazinyl)ethoxy]benzoic acid,
Z-0420,
BRD-K21915287-001-01-1,
C14H20N2O3,
CID6504236,
|
| Complexity | 282 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.325g/mol |
| Monoisotopic Mass | 264.147g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 53A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number