4-(1-Boc-1,2,3,6-tetrahydro-4-pyridyl)-2-methyl-6-nitroaniline - CAS 1054315-49-9
Catalog: |
BB001645 |
Product Name: |
4-(1-Boc-1,2,3,6-tetrahydro-4-pyridyl)-2-methyl-6-nitroaniline |
CAS: |
1054315-49-9 |
Synonyms: |
4-(4-amino-3-methyl-5-nitrophenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester; tert-butyl 4-(4-amino-3-methyl-5-nitrophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate |
IUPAC Name: | tert-butyl 4-(4-amino-3-methyl-5-nitrophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate |
Description: | 4-(1-Boc-1,2,3,6-tetrahydro-4-pyridyl)-2-methyl-6-nitroaniline (CAS# 1054315-49-9) is a useful research chemical compound. |
Molecular Weight: | 333.38 |
Molecular Formula: | C17H23N3O4 |
Canonical SMILES: | CC1=C(C(=CC(=C1)C2=CCN(CC2)C(=O)OC(C)(C)C)[N+](=O)[O-])N |
InChI: | InChI=1S/C17H23N3O4/c1-11-9-13(10-14(15(11)18)20(22)23)12-5-7-19(8-6-12)16(21)24-17(2,3)4/h5,9-10H,6-8,18H2,1-4H3 |
InChI Key: | JQEFXEHWZZAJIO-UHFFFAOYSA-N |
MDL: | MFCD28142660 |
LogP: | 4.55190 |
Publication Number | Title | Priority Date |
JP-2016509048-A | 2- (Hetero) arylbenzimidazole and imidazopyridine derivatives as inhibitors of asparagine methyltransferase | 20130220 |
US-2016222005-A1 | 2-(hetero)aryl-benzimidazole and imidazopyridine derivatives as inhibitors of asparagime emethyl transferase | 20130220 |
US-9856252-B2 | 2-(hetero)aryl-benzimidazole and imidazopyridine derivatives as inhibitors of asparagime emethyl transferase | 20130220 |
WO-2014128465-A1 | 2-(hetero)aryl-benzimidazole and imidazopyridine derivatives as inhibitors of asparagime emethyl transferase | 20130220 |
US-2006235037-A1 | Heterocyclic inhibitors of protein arginine methyl transferases | 20050415 |
Complexity: | 521 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 333.16885622 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 333.16885622 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 101 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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Amines and Anilines
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