1-Boc-4-(4-Aminomethylphenyl)piperazine - CAS 852180-47-3
Catalog: |
BB037535 |
Product Name: |
1-Boc-4-(4-Aminomethylphenyl)piperazine |
CAS: |
852180-47-3 |
Synonyms: |
4-[4-(aminomethyl)phenyl]-1-piperazinecarboxylic acid tert-butyl ester; tert-butyl 4-[4-(aminomethyl)phenyl]piperazine-1-carboxylate |
IUPAC Name: | tert-butyl 4-[4-(aminomethyl)phenyl]piperazine-1-carboxylate |
Description: | 1-Boc-4-(4-Aminomethylphenyl)piperazine (CAS# 852180-47-3) is a useful research chemical. |
Molecular Weight: | 291.39 |
Molecular Formula: | C16H25N3O2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)CN |
InChI: | InChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)19-10-8-18(9-11-19)14-6-4-13(12-17)5-7-14/h4-7H,8-12,17H2,1-3H3 |
InChI Key: | TTXMFUXVXBAVIP-UHFFFAOYSA-N |
Boiling Point: | 441 °C at 760 mmHg |
Density: | 1.121 g/cm3 |
MDL: | MFCD03791213 |
LogP: | 2.90560 |
Publication Number | Title | Priority Date |
WO-2021110614-A1 | HYDROPYRIDO[1,2-α]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE | 20191203 |
EP-3623369-A1 | Novel morpholinyl amine compounds for the treatment of autoimmune disease | 20180912 |
CN-110467629-A | Quinone derivatives, its pharmaceutical composition and application | 20180509 |
WO-2019180686-A1 | Ido-tdo dual inhibitor and related methods of use | 20180323 |
US-2016185774-A1 | Anti-Infective Compounds | 20130802 |
Complexity: | 338 |
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: | 1.6 |
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