4-Boc-1-piperazinecarbonyl Chloride - CAS 59878-28-3
Catalog: |
BB030542 |
Product Name: |
4-Boc-1-piperazinecarbonyl Chloride |
CAS: |
59878-28-3 |
Synonyms: |
4-carbonochloridoyl-1-piperazinecarboxylic acid tert-butyl ester; tert-butyl 4-carbonochloridoylpiperazine-1-carboxylate |
IUPAC Name: | tert-butyl 4-carbonochloridoylpiperazine-1-carboxylate |
Description: | 4-Boc-1-piperazinecarbonyl Chloride (CAS# 59878-28-3 ) is a useful research chemical. |
Molecular Weight: | 248.71 |
Molecular Formula: | C10H17ClN2O3 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCN(CC1)C(=O)Cl |
InChI: | InChI=1S/C10H17ClN2O3/c1-10(2,3)16-9(15)13-6-4-12(5-7-13)8(11)14/h4-7H2,1-3H3 |
InChI Key: | NCIQNWYJLAAFAH-UHFFFAOYSA-N |
LogP: | 1.77370 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021127328-A1 | Trpml modulators | 20191219 |
WO-2021113368-A1 | Sstr5 antagonists | 20191203 |
CN-112778299-A | Piperazine ureido derivative, preparation method and medical application thereof | 20191104 |
WO-2021065980-A1 | Bet degrader | 20190930 |
WO-2021053495-A1 | Bifunctional degraders and their methods of use | 20190916 |
Complexity: | 280 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 248.0927701 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 248.0927701 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 49.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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