tert-Butyl 4-(3-aminobenzyl)piperazine-1-carboxylate - CAS 361345-40-6
Catalog: |
BB022875 |
Product Name: |
tert-Butyl 4-(3-aminobenzyl)piperazine-1-carboxylate |
CAS: |
361345-40-6 |
Synonyms: |
1-Piperazinecarboxylic acid, 4-[(3-aminophenyl)methyl]-, 1,1-dimethylethyl ester; 1-Boc-4-(3-Aminobenzyl)piperazine; 4-(3-Aminobenzyl)piperazine-1-carboxylic acid tert-butyl ester; 4-[(3-aminophenyl)methyl]-1-piperazinecarboxylic acid tert-butyl ester |
IUPAC Name: | tert-butyl 4-[(3-aminophenyl)methyl]piperazine-1-carboxylate |
Molecular Weight: | 291.39 |
Molecular Formula: | C16H25N3O2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCN(CC1)CC2=CC(=CC=C2)N |
InChI: | InChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)19-9-7-18(8-10-19)12-13-5-4-6-14(17)11-13/h4-6,11H,7-10,12,17H2,1-3H3 |
InChI Key: | VKSINZNBWVJILC-UHFFFAOYSA-N |
Boiling Point: | 416.6±40.0°C at 760 mmHg |
Purity: | ≥95% |
Density: | 1.136±0.06 g/cm3 |
Appearance: | Solid |
MDL: | MFCD06658979 |
LogP: | 2.77850 |
Publication Number | Title | Priority Date |
WO-2019245910-A1 | Triazine compounds and uses thereof | 20180622 |
EP-3810600-A1 | Triazine compounds and uses thereof | 20180622 |
US-2021246122-A1 | Triazine Compounds and Uses Thereof | 20180622 |
AU-2016299484-A1 | 1,3,4-oxadiazole sulfonamide derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same | 20150727 |
AU-2016299484-B2 | 1,3,4-oxadiazole sulfonamide derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same | 20150727 |
Complexity: | 346 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 291.19467705 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 291.19467705 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 58.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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