1-(2-Bromoethyl)-4-Boc-piperazine - CAS 655225-01-7
Catalog: |
BB032753 |
Product Name: |
1-(2-Bromoethyl)-4-Boc-piperazine |
CAS: |
655225-01-7 |
Synonyms: |
4-(2-bromoethyl)-1-piperazinecarboxylic acid tert-butyl ester; tert-butyl 4-(2-bromoethyl)piperazine-1-carboxylate |
IUPAC Name: | tert-butyl 4-(2-bromoethyl)piperazine-1-carboxylate |
Description: | 1-(2-Bromoethyl)-4-Boc-piperazine (CAS# 655225-01-7) is a useful research chemical. |
Molecular Weight: | 293.20 |
Molecular Formula: | C11H21BrN2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCN(CC1)CCBr |
InChI: | InChI=1S/C11H21BrN2O2/c1-11(2,3)16-10(15)14-8-6-13(5-4-12)7-9-14/h4-9H2,1-3H3 |
InChI Key: | IWSFZKCIZFXAFT-UHFFFAOYSA-N |
Boiling Point: | 331.5 °C at 760 mmHg |
Density: | 1.294 g/cm3 |
LogP: | 1.80980 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021083949-A1 | Bifunctional compounds for the treatment of cancer | 20191029 |
WO-2021086785-A1 | Bifunctional compounds | 20191028 |
WO-2021013693-A1 | Antibody drug conjugates (adcs) with nampt inhibitors | 20190723 |
US-10851073-B2 | Protein tyrosine phosphatase inhibitors and methods of use thereof | 20190314 |
US-2020299246-A1 | Protein tyrosine phosphatase inhibitors and methods of use thereof | 20190314 |
Complexity: | 233 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 292.07864 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 292.07864 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 32.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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