1-(3-Bromophenyl)piperazine - CAS 31197-30-5
Catalog: |
BB020830 |
Product Name: |
1-(3-Bromophenyl)piperazine |
CAS: |
31197-30-5 |
Synonyms: |
1-(3-bromophenyl)piperazine; 1-(3-bromophenyl)piperazine |
IUPAC Name: | 1-(3-bromophenyl)piperazine |
Description: | 1-(3-Bromophenyl)piperazine (CAS# 31197-30-5) is a useful research chemical. |
Molecular Weight: | 241.13 |
Molecular Formula: | C10H13BrN2 |
Canonical SMILES: | C1CN(CCN1)C2=CC(=CC=C2)Br |
InChI: | InChI=1S/C10H13BrN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2 |
InChI Key: | DOYNABJKDZARLF-UHFFFAOYSA-N |
Boiling Point: | 353.2 °C at 760 mmHg |
Density: | 1.386 g/cm3 |
MDL: | MFCD03412123 |
LogP: | 2.25250 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-3875452-A1 | Monoacylglycerol lipase inhibitors | 20200304 |
WO-2021175913-A1 | Monoacylglycerol lipase inhibitors | 20200304 |
WO-2021072369-A1 | Lpxh targeting compounds, compositions thereof, and methods of making and using the same | 20191011 |
WO-2020257487-A1 | Glycolate oxidase inhibitors for the treatment of disease | 20190619 |
TW-201930272-A | Glycolate oxidase inhibitor for disease treatment | 20171229 |
Complexity: | 157 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 240.02621 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 240.02621 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 15.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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