| CAS Number | 10500-64-8 |
| Catalog Number | AG0085HD(AGN-PC-07Y4G8) |
| Chemical Name | 1-Pentanol, 4-[(7-chloro-4-quinolinyl)amino]- |
| IUPAC Name | 4-[(7-chloroquinolin-4-yl)amino]pentan-1-ol |
| InChI | InChI=1S/C14H17ClN2O/c1-10(3-2-8-18)17-13-6-7-16-14-9-11(15)4-5-12(13)14/h4-7,9-10,18H,2-3,8H2,1H3,(H,16,17) |
| InChI Key | BZUKCXDUDOUBKN-UHFFFAOYSA-N |
| MDL Number | MFCD16251313 |
| Molecular Formula | C14H17ClN2O |
| Molecular Weight | 264.7506 |
| SMILES | CC(NC1=CC=NC2=CC(Cl)=CC=C12)CCCO |
| Synonyms | 10500-64-8,
4-[(7-CHLORO-4-QUINOLINYL)AMINO]-1-PENTANOL,
GNF-Pf-1978,
1-Pentanol, 4-[(7-chloro-4-quinolinyl)amino]-,
4-((7-chloro-4-quinolinyl)amino)-1-pentanol,
AC1L8STY,
CHEMBL579159,
CTK0D7706,
DTXSID00328190,
AKOS017556793,
FT-0664973,
4-[(7-chloroquinolin-4-yl)amino]pentan-1-ol,
J-001330,
4-(4 inverted exclamation mark -Hydroxy-1 inverted exclamation mark -methyl-3,4-butylamino)-7-chloroquinoline,
NSC7427,
CID407550,
4-((7-Chloroquinolin-4-yl)amino)pentan-1-ol,
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| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.753g/mol |
| Monoisotopic Mass | 264.103g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 45.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
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