| CAS Number | 705271-61-0 |
| Catalog Number | AG019EW6(AGN-PC-0WG458) |
| Chemical Name | 4-Methyl-6-nitro-2-(pyrrolidin-1-yl)quinoline |
| IUPAC Name | 4-methyl-6-nitro-2-pyrrolidin-1-ylquinoline |
| InChI | InChI=1S/C14H15N3O2/c1-10-8-14(16-6-2-3-7-16)15-13-5-4-11(17(18)19)9-12(10)13/h4-5,8-9H,2-3,6-7H2,1H3 |
| InChI Key | BYIUVFQSFOEFAQ-UHFFFAOYSA-N |
| MDL Number | MFCD03828546 |
| Molecular Formula | C14H15N3O2 |
| Molecular Weight | 257.2878 |
| SMILES | [O-][N+](=O)c1ccc2c(c1)c(C)cc(n2)N1CCCC1 |
| Synonyms | 4-Methyl-6-nitro-2-(pyrrolidin-1-yl)quinoline,
705271-61-0,
4-methyl-6-nitro-2-pyrrolidin-1-ylquinoline,
AC1N4BDC,
MFCD03828546,
ZINC19816171,
AKOS000441936,
4-methyl-6-nitro-2-pyrrolidinylquinoline,
CS-0036640,
EU-0020718,
ST45019485,
CID4126159,
4-methyl-6-nitro-2-pyrrolidin-1-yl-quinoline,
|
| Complexity | 338 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.293g/mol |
| Monoisotopic Mass | 257.116g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 62A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number