1-Boc-4-(4-methoxycarbonylphenyl)piperazine - CAS 158985-36-5
Catalog: |
BB011482 |
Product Name: |
1-Boc-4-(4-methoxycarbonylphenyl)piperazine |
CAS: |
158985-36-5 |
Synonyms: |
tert-butyl 4-(4-methoxycarbonylphenyl)piperazine-1-carboxylate |
IUPAC Name: | tert-butyl 4-(4-methoxycarbonylphenyl)piperazine-1-carboxylate |
Description: | 1-Boc-4-(4-methoxycarbonylphenyl)piperazine (CAS# 158985-36-5) is a useful research chemical compound. |
Molecular Weight: | 320.38 |
Molecular Formula: | C17H24N2O4 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)C(=O)OC |
InChI: | InChI=1S/C17H24N2O4/c1-17(2,3)23-16(21)19-11-9-18(10-12-19)14-7-5-13(6-8-14)15(20)22-4/h5-8H,9-12H2,1-4H3 |
InChI Key: | SMDBCJAJWDCJOP-UHFFFAOYSA-N |
Boiling Point: | 451.7 °C at 760 mmHg |
Melting Point: | 166-167 °C |
Purity: | 95 % |
Density: | 1.153 g/cm3 |
Appearance: | White to yellow powder or crystals |
LogP: | 2.53320 |
GHS Hazard Statement: | H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P310, P321, P330, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113072521-A | ROR gamma t inhibitor and application thereof in medicine | 20200106 |
CN-113072542-A | ROR gamma t inhibitor and preparation method and application thereof | 20200106 |
WO-2021139595-A1 | RORγT INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF | 20200106 |
WO-2020020097-A1 | Pyrazolotriazolopyrimidine derivatives as a2a receptor antagonist | 20180723 |
TW-202016116-A | Pyrazolotriazolopyrimidine derivatives as A2A receptor antagonists | 20180723 |
Complexity: | 417 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 320.17360725 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 320.17360725 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 59.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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