2-(4-Methyl-1-piperazinyl)ethylamine - CAS 934-98-5
Catalog: |
BB040943 |
Product Name: |
2-(4-Methyl-1-piperazinyl)ethylamine |
CAS: |
934-98-5 |
Synonyms: |
2-(4-methyl-1-piperazinyl)ethanamine; 2-(4-methylpiperazin-1-yl)ethanamine |
IUPAC Name: | 2-(4-methylpiperazin-1-yl)ethanamine |
Description: | 2-(4-Methyl-1-piperazinyl)ethylamine (CAS# 934-98-5) is a derivative of Ethyl Paraben (E925475), an antimicrobial agent used in cosmetic products. |
Molecular Weight: | 143.23 |
Molecular Formula: | C7H17N3 |
Canonical SMILES: | CN1CCN(CC1)CCN |
InChI: | InChI=1S/C7H17N3/c1-9-4-6-10(3-2-8)7-5-9/h2-8H2,1H3 |
InChI Key: | GOWUDHPKGOIDIX-UHFFFAOYSA-N |
Boiling Point: | 215.4 °C at 760 mmHg |
Density: | 0.956 g/cm3 |
Storage: | Keep in dark place, Inert atmosphere, Room temperature |
LogP: | -0.23140 |
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 |
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PMID | Publication Date | Title | Journal |
22148754 | 20120112 | Discovery of a novel class of orally active trypanocidal N-myristoyltransferase inhibitors | Journal of medicinal chemistry |
21907466 | 20111101 | Design, synthesis and docking studies of new quinoline-3-carbohydrazide derivatives as antitubercular agents | European journal of medicinal chemistry |
Complexity: | 86.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 143.142247555 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 143.142247555 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 32.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.9 |
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