N-Methyl-1-(2-methyl-2,3-dihydro-1H-isoindol-5-yl)methanamine - CAS 959237-27-5
Catalog: |
BB041889 |
Product Name: |
N-Methyl-1-(2-methyl-2,3-dihydro-1H-isoindol-5-yl)methanamine |
CAS: |
959237-27-5 |
Synonyms: |
N-methyl-1-(2-methyl-1,3-dihydroisoindol-5-yl)methanamine |
IUPAC Name: | N-methyl-1-(2-methyl-1,3-dihydroisoindol-5-yl)methanamine |
Description: | N-Methyl-1-(2-methyl-2,3-dihydro-1H-isoindol-5-yl)methanamine (CAS# 959237-27-5) is a useful research chemical. |
Molecular Weight: | 176.26 |
Molecular Formula: | C11H16N2 |
Canonical SMILES: | CNCC1=CC2=C(CN(C2)C)C=C1 |
InChI: | InChI=1S/C11H16N2/c1-12-6-9-3-4-10-7-13(2)8-11(10)5-9/h3-5,12H,6-8H2,1-2H3 |
InChI Key: | WCPFNQUISYJYBC-UHFFFAOYSA-N |
Boiling Point: | 247.6 °C at 760 mmHg |
Density: | 1.029 g/cm3 |
MDL: | MFCD09864258 |
LogP: | 1.68020 |
Publication Number | Title | Priority Date |
CA-2771226-A1 | New bradykinin b1 antagonists | 20080822 |
EP-2331518-A1 | New bradykinin b1 antagonists | 20080822 |
JP-2012500783-A | New bradykinin B1 antagonist | 20080822 |
US-2011201589-A1 | New bradykinin b1 antagonists | 20080822 |
US-2014073627-A1 | Bradykinin b1 antagonists | 20080822 |
Complexity: | 170 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 176.131348519 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 176.131348519 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 15.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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