3-(4-Methyl-1-piperazinyl)-1-butanamine - CAS 4553-30-4
Catalog: |
BB025920 |
Product Name: |
3-(4-Methyl-1-piperazinyl)-1-butanamine |
CAS: |
4553-30-4 |
Synonyms: |
3-(4-methylpiperazin-1-yl)butan-1-amine |
IUPAC Name: | 3-(4-methylpiperazin-1-yl)butan-1-amine |
Description: | 3-(4-Methyl-1-piperazinyl)-1-butanamine (CAS# 4553-30-4) is a useful research chemical. |
Molecular Weight: | 171.28 |
Molecular Formula: | C9H21N3 |
Canonical SMILES: | CC(CCN)N1CCN(CC1)C |
InChI: | InChI=1S/C9H21N3/c1-9(3-4-10)12-7-5-11(2)6-8-12/h9H,3-8,10H2,1-2H3 |
InChI Key: | GHMGCKSGDXYVEE-UHFFFAOYSA-N |
Boiling Point: | 239.6 °C at 760 mmHg |
Density: | 0.947 g/cm3 |
MDL: | MFCD09864561 |
LogP: | 0.54720 |
Publication Number | Title | Priority Date |
AU-2011282588-A1 | Quinoline derivatives and MELK inhibitors containing the same | 20100730 |
AU-2011282588-B2 | Quinoline derivatives and MELK inhibitors containing the same | 20100730 |
CA-2806332-A1 | Quinoline derivatives and melk inhibitors containing the same | 20100730 |
DK-2597955-T3 | Quinoline derivatives and milk inhibitors containing these | 20100730 |
EP-2597955-B1 | Quinoline derivatives and melk inhibitors containing the same | 20100730 |
Complexity: | 119 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 171.173547683 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 171.173547683 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 32.5 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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