1-(4-Bromobenzyl)piperazine - CAS 91345-62-9
Catalog: |
BB040130 |
Product Name: |
1-(4-Bromobenzyl)piperazine |
CAS: |
91345-62-9 |
Synonyms: |
1-[(4-bromophenyl)methyl]piperazine |
IUPAC Name: | 1-[(4-bromophenyl)methyl]piperazine |
Description: | 1-(4-Bromobenzyl)piperazine (CAS# 91345-62-9) is a useful research chemical. |
Molecular Weight: | 255.15 |
Molecular Formula: | C11H15BrN2 |
Canonical SMILES: | C1CN(CCN1)CC2=CC=C(C=C2)Br |
InChI: | InChI=1S/C11H15BrN2/c12-11-3-1-10(2-4-11)9-14-7-5-13-6-8-14/h1-4,13H,5-9H2 |
InChI Key: | MAHWBNAOEVAPJF-UHFFFAOYSA-N |
Boiling Point: | 112-116 °C / 0.3 mmHg (lit.) |
Purity: | 97+ % |
Density: | 1.356 g/cm3 |
MDL: | MFCD02177416 |
LogP: | 2.12100 |
GHS Hazard Statement: | H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2020207396-A1 | Methods and compositions for targeted protein degradation | 20190409 |
CN-109111415-A | A kind of dendrobium nobile alcaloid-derivatives, preparation method and medical usage | 20181025 |
CN-110143949-A | It can be used as the new type heterocycle derivative of SHP2 inhibitor | 20180509 |
WO-2017071516-A1 | Kinase inhibitor, and preparing method and pharmaceutical use thereof | 20151027 |
EP-3344613-B1 | Heteroaryl compounds and their use as therapeutic drugs | 20150831 |
Complexity: | 161 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 254.04186 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 254.04186 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 15.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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