| CAS Number | 129655-59-0 |
| Catalog Number | AG009ITF(AGN-PC-0037TL) |
| Chemical Name | 1-[(3-AMINO-4-QUINOLINYL)AMINO]-2-METHYL-2-PROPANOL |
| IUPAC Name | 1-[(3-aminoquinolin-4-yl)amino]-2-methylpropan-2-ol |
| InChI | InChI=1S/C13H17N3O/c1-13(2,17)8-16-12-9-5-3-4-6-11(9)15-7-10(12)14/h3-7,17H,8,14H2,1-2H3,(H,15,16) |
| InChI Key | LHBODUUXCWHZLN-UHFFFAOYSA-N |
| MDL Number | MFCD22044570 |
| Molecular Formula | C13H17N3O |
| Molecular Weight | 231.2936 |
| SMILES | Nc1cnc2c(c1NCC(O)(C)C)cccc2 |
| Synonyms | 129655-59-0,
1-((3-Aminoquinolin-4-yl)amino)-2-methylpropan-2-ol,
1-[(3-amino-4-quinolinyl)amino]-2-methyl-2-propanol,
1-[(3-aminoquinolin-4-yl)amino]-2-methylpropan-2-ol,
2-Propanol, 1-[(3-amino-4-quinolinyl)amino]-2-methyl-,
SCHEMBL842750,
LHBODUUXCWHZLN-UHFFFAOYSA-N,
MFCD22044570,
ZINC34421035,
AKOS027393825,
CS-0059725,
3-Amino-4-(2-hydroxy-2methylpropylamino)quinoline,
1-(3-aminoquinolin-4-ylamino)-2-methylpropan-2-ol,
3-amino-4-(2-hydroxy-2-methylpropylamino)quinoline,
1-(3-AMINO-QUINOLIN-4-YLAMINO)-2-METHYL-PROPAN-2-OL,
2-Propanol,1-[(3-amino-4-quinolinyl)amino]-2-methyl-,
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| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.299g/mol |
| Monoisotopic Mass | 231.137g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 71.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
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