1-Boc-3-isopropylpiperazine - CAS 502649-32-3
Catalog: |
BB026984 |
Product Name: |
1-Boc-3-isopropylpiperazine |
CAS: |
502649-32-3 |
Synonyms: |
3-propan-2-yl-1-piperazinecarboxylic acid tert-butyl ester; tert-butyl 3-propan-2-ylpiperazine-1-carboxylate |
IUPAC Name: | tert-butyl 3-propan-2-ylpiperazine-1-carboxylate |
Description: | 1-Boc-3-isopropylpiperazine (CAS# 502649-32-3) is a useful reactant for the preparation of benzoisothiazoles as KRAS G12C inhibitors. |
Molecular Weight: | 228.33 |
Molecular Formula: | C12H24N2O2 |
Canonical SMILES: | CC(C)C1CN(CCN1)C(=O)OC(C)(C)C |
InChI: | InChI=1S/C12H24N2O2/c1-9(2)10-8-14(7-6-13-10)11(15)16-12(3,4)5/h9-10,13H,6-8H2,1-5H3 |
InChI Key: | UHLAQCKNCBYTIF-UHFFFAOYSA-N |
Boiling Point: | 298.4 °C at 760 mmHg |
Density: | 0.98 g/cm3 |
MDL: | MFCD08273958 |
LogP: | 2.11800 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2020115501-A1 | Pharmaceutical compounds and their use as inhibitors of ubiquitin specific protease 19 (usp19) | 20181206 |
CN-113365696-A | Pharmaceutical compounds and their use as inhibitors of ubiquitin-specific protease 19(USP19) | 20181206 |
EP-3890829-A1 | Pharmaceutical compounds and their use as inhibitors of ubiquitin specific protease 19 (usp19) | 20181206 |
KR-20210102285-A | Use as pharmaceutical compounds and inhibitors of ubiquitin-specific protease 19 (USP19) | 20181206 |
US-10669272-B2 | Substituted naphthyridinone compounds useful as T cell activators | 20180627 |
Complexity: | 246 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.183778013 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.183778013 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 41.6 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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