| CAS Number | 1851373-36-8 |
| Catalog Number | AG01E3G7(AGN-PC-3H45E6) |
| Chemical Name | 3-[[[(1R)-1,2,3,4-Tetrahydro-6-(methylphenylamino)-1-naphthalenyl]methyl]amino]-4-PyridinecarboxylicAcid |
| IUPAC Name | 3-[[6-(N-methylanilino)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylic acid |
| InChI | InChI=1S/C24H25N3O2/c1-27(19-8-3-2-4-9-19)20-10-11-21-17(14-20)6-5-7-18(21)15-26-23-16-25-13-12-22(23)24(28)29/h2-4,8-14,16,18,26H,5-7,15H2,1H3,(H,28,29) |
| InChI Key | XSMABFRQESMONQ-UHFFFAOYSA-N |
| MDL Number | MFCD31630821 |
| Molecular Formula | C24H25N3O2 |
| Molecular Weight | 387.4742 |
| SMILES | O=C(C1=C(NC[C@@H]2CCCC3=C2C=CC(N(C)C4=CC=CC=C4)=C3)C=NC=C1)O |
| Synonyms | QC6352,
QC6352,
1851373-36-8,
SCHEMBL20528298,
|
| Complexity | 536 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 387.195g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 387.483g/mol |
| Monoisotopic Mass | 387.195g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 65.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number