| CAS Number | 133860-75-0 |
| Catalog Number | AG003AGG(AGN-PC-0ND3C2) |
| Chemical Name | 2-Chloro-N-(2-methylpropyl)-3-nitro-4-quinolinamine |
| IUPAC Name | 2-chloro-N-(2-methylpropyl)-3-nitroquinolin-4-amine |
| InChI | InChI=1S/C13H14ClN3O2/c1-8(2)7-15-11-9-5-3-4-6-10(9)16-13(14)12(11)17(18)19/h3-6,8H,7H2,1-2H3,(H,15,16) |
| InChI Key | DVWFDUDOJMSGAP-UHFFFAOYSA-N |
| MDL Number | MFCD09030724 |
| Molecular Formula | C13H14ClN3O2 |
| Molecular Weight | 279.7222 |
| SMILES | ClC1=NC2=CC=CC=C2C(=C1[N+](=O)[O-])NCC(C)C |
| Synonyms | 133860-75-0,
2-chloro-N-isobutyl-3-nitroquinolin-4-amine,
4-Quinolinamine, 2-chloro-N-(2-methylpropyl)-3-nitro-,
2-chloro-N-(2-methylpropyl)-3-nitroquinolin-4-amine,
QUI138,
SCHEMBL8870696,
DTXSID70448955,
DVWFDUDOJMSGAP-UHFFFAOYSA-N,
MFCD09030724,
AKOS015964381,
2-Chloro-N-(2-methylpropyl)-3-nitro-4-quinolinamine,
CID10934813,
2-chloro-N-(2-methylpropyl)-3-nitro-quinolin-4-amine,
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| Complexity | 322 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.724g/mol |
| Monoisotopic Mass | 279.077g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 70.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number