Piperonylamine - CAS 2620-50-0
Catalog: |
BB019195 |
Product Name: |
Piperonylamine |
CAS: |
2620-50-0 |
Synonyms: |
1,3-Benzodioxole-5-methanamine; (1,3-Dioxaindan-5-yl)methanamine; (Benzo[d][1,3]dioxol-5-yl)methanamine; 1,3-Benzodioxol-5-ylmethylamine; 1,3-Benzodioxole-5-methylamine; 1-(1,3-Benzodioxol-5-yl)methanamine; 1-(Aminomethyl)-3,4-(methylenedioxy)benzene; 2H-1,3-Benzodioxol-5-ylmethanamine; 3,4-(Methylenedioxy)benzylamine; 3,4-Methylenedioxyphenylmethylamine; 3',4'-(Methylenedioxy)benzylamine; 5-Aminomethyl-1,3-benzodioxole; [(Benzo[d][1,3]dioxol-5-yl)methyl]amine; [(Benzodioxol-5-yl)methyl]amine; C-(Benzo[1,3]dioxol-5-yl)methylamine; NSC 75851 |
IUPAC Name: | 1,3-benzodioxol-5-ylmethanamine |
Molecular Weight: | 151.16 |
Molecular Formula: | C8H9NO2 |
Canonical SMILES: | C1OC2=C(O1)C=C(C=C2)CN |
InChI: | InChI=1S/C8H9NO2/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3H,4-5,9H2 |
InChI Key: | ZILSBZLQGRBMOR-UHFFFAOYSA-N |
Boiling Point: | 137-140°C at 13 Torr |
Purity: | ≥95% |
Density: | 1.253±0.06 g/cm3 |
Appearance: | Colorless to light yellow liquid |
MDL: | MFCD00005840 |
LogP: | 1.57430 |
GHS Hazard Statement: | H314 (12.24%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
21295888 | 20110301 | Synthesis and anti-mycobacterial activity of novel amino alcohol derivatives | European journal of medicinal chemistry |
20724206 | 20110101 | Efficient sonochemical synthesis of thiazolidinones from piperonilamine | Ultrasonics sonochemistry |
19906643 | 20100108 | Characterization of the East Asian variant of aldehyde dehydrogenase-2: bioactivation of nitroglycerin and effects of Alda-1 | The Journal of biological chemistry |
19966921 | 20091118 | Design and Synthesis of Imidazopyrimidine Derivatives as Potent iNOS Dimerization Inhibitors | The open medicinal chemistry journal |
15369395 | 20040923 | Resistance-modifying agents. 11.(1) Pyrimido[5,4-d]pyrimidine modulators of antitumor drug activity. Synthesis and structure-activity relationships for nucleoside transport inhibition and binding to alpha1-acid glycoprotein | Journal of medicinal chemistry |
Complexity: | 140 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 151.063328530 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 151.063328530 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 44.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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Amines and Anilines
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