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2620-50-0 | 1,3-Benzodioxole-5-methanamine
CAS No: 2620-50-0 Catalog No: AG002S9I MDL No:MFCD00005840
Product Description
Catalog Number:
AG002S9I
Chemical Name:
1,3-Benzodioxole-5-methanamine
CAS Number:
2620-50-0
Molecular Formula:
C8H9NO2
Molecular Weight:
151.1626
MDL Number:
MFCD00005840
IUPAC Name:
1,3-benzodioxol-5-ylmethanamine
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
SMILES:
NCc1ccc2c(c1)OCO2
EC Number:
220-056-1
NSC Number:
75851
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.063g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
151.165g/mol
Monoisotopic Mass:
151.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| Synthesis and anti-mycobacterial activity of novel amino alcohol derivatives. | European journal of medicinal chemistry 20110301 |
| Characterization of the East Asian variant of aldehyde dehydrogenase-2: bioactivation of nitroglycerin and effects of Alda-1. | The Journal of biological chemistry 20100108 |
| Design and Synthesis of Imidazopyrimidine Derivatives as Potent iNOS Dimerization Inhibitors. | The open medicinal chemistry journal 20090101 |
| 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 20040923 |
| New designer drug 1-(3,4-methylenedioxybenzyl) piperazine (MDBP): studies on its metabolism and toxicological detection in rat urine using gas chromatography/mass spectrometry. | Journal of mass spectrometry : JMS 20040301 |
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