| CAS Number | 1158743-29-3 |
| Catalog Number | AG00J3AL |
| Chemical Name | 1-methyl-N-(2-phenylethyl)-4-piperidinamine diethanedioate |
| IUPAC Name | 1-methyl-N-(2-phenylethyl)piperidin-4-amine;oxalic acid |
| InChI | InChI=1S/C14H22N2.2C2H2O4/c1-16-11-8-14(9-12-16)15-10-7-13-5-3-2-4-6-13;2*3-1(4)2(5)6/h2-6,14-15H,7-12H2,1H3;2*(H,3,4)(H,5,6) |
| InChI Key | ZNTWSWMRQZQWTK-UHFFFAOYSA-N |
| MDL Number | MFCD02140639 |
| Molecular Formula | C18H26N2O8 |
| Molecular Weight | 398.4076 |
| SMILES | C(O)(=O)C(O)=O.C(O)(=O)C(O)=O.N1(C)CCC(CC1)NCCC1C=CC=CC=1 |
| Synonyms | 1158743-29-3,
ZX-CM014195,
MFCD02140639,
AKOS003262005,
MCULE-5298664964,
1-Methyl-N-(2-phenylethyl)-4-piperidinamine dioxalate,
4100018-25G,
4100018-50G,
1-methyl-N-(2-phenylethyl)-4-piperidinamine diethanedioate,
N-(1-methyl-4-piperidinyl)-N-(2-phenylethyl)amine diethanedioate,
|
| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 398.169g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 398.412g/mol |
| Monoisotopic Mass | 398.169g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 165A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number