4-Boc-piperazine-2-carboxylic acid - CAS 128019-59-0
Catalog: |
BB006854 |
Product Name: |
4-Boc-piperazine-2-carboxylic acid |
CAS: |
128019-59-0 |
Synonyms: |
4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid |
IUPAC Name: | 4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid |
Description: | 4-Boc-piperazine-2-carboxylic acid (CAS# 128019-59-0) is used in preparation of substituted Azacyles as TRMP8 modulators. |
Molecular Weight: | 230.26 |
Molecular Formula: | C10H18N2O4 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCNC(C1)C(=O)O |
InChI: | InChI=1S/C10H18N2O4/c1-10(2,3)16-9(15)12-5-4-11-7(6-12)8(13)14/h7,11H,4-6H2,1-3H3,(H,13,14) |
InChI Key: | YRYAXQJXMBETAT-UHFFFAOYSA-N |
Boiling Point: | 364.4 °C at 760 mmHg |
Melting Point: | 231-239 °C |
Purity: | 95 % |
Density: | 1.22 g/cm3 |
Storage: | Keep in dark place, Sealed in dry, 2-8 °C |
MDL: | MFCD01076218 |
LogP: | 0.54660 |
GHS Hazard Statement: | H315 (13.04%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021127404-A1 | Tricyclic pyridones and pyrimidones | 20191220 |
WO-2021074281-A1 | Substituted azacyles as trmp8 modulators | 20191017 |
WO-2021047406-A1 | Tricyclic compound, pharmaceutical composition containing same, preparation method therefor and use thereof | 20190910 |
WO-2020081917-A1 | Î'eta-catenin and b-cell lymphoma 9 (bcl9) inhibitors | 20181018 |
CN-112654621-A | Substituted naphthyridinone compounds useful as T cell activators | 20180627 |
Complexity: | 285 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 230.12665706 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 230.12665706 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 78.9 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -2.2 |
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Related Functional Groups
Piperazines
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