Home Other Building Blocks 1,3-Benzodioxole-5-ethanamine

1,3-Benzodioxole-5-ethanamine

CAS No.:
1484-85-1
Catalog Number:
AG001KWM
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%(HPLC)
In Stock USA
United States
$39
- +
5g
98%(HPLC)
In Stock USA
United States
$64
- +
25g
98%(HPLC)
In Stock USA
United States
$166
- +
100g
98%(HPLC)
In Stock USA
United States
$473
- +
Product Description
Catalog Number:
AG001KWM
Chemical Name:
1,3-Benzodioxole-5-ethanamine
CAS Number:
1484-85-1
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
MDL Number:
MFCD00060509
IUPAC Name:
2-(1,3-benzodioxol-5-yl)ethanamine
InChI:
InChI=1S/C9H11NO2/c10-4-3-7-1-2-8-9(5-7)12-6-11-8/h1-2,5H,3-4,6,10H2
InChI Key:
RRIRDPSOCUCGBV-UHFFFAOYSA-N
SMILES:
NCCc1ccc2c(c1)OCO2
EC Number:
216-060-8
Properties
Complexity:
152  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.079g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
165.192g/mol
Monoisotopic Mass:
165.079g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Design and Synthesis of Imidazopyrimidine Derivatives as Potent iNOS Dimerization Inhibitors. The open medicinal chemistry journal 20090101
Structure-activity correlations for beta-phenethylamines at human trace amine receptor 1. Bioorganic & medicinal chemistry 20080801
Ecstasy analogues found in cacti. Journal of psychoactive drugs 20080601
Oxidative stress in rat kidneys due to 3,4-methylenedioxymetamphetamine (ecstasy) toxicity. Nephrology (Carlton, Vic.) 20080201
GC-MS studies on the regioisomeric 2,3- and 3,4-methylenedioxyphenethylamines related to MDEA, MDMMA, and MBDB. Journal of chromatographic science 20070101
Rat brain serotonin neurones that express neuronal nitric oxide synthase have increased sensitivity to the substituted amphetamine serotonin toxins 3,4-methylenedioxymethamphetamine and p-chloroamphetamine. Neuroscience 20050101
Hypothalamic-pituitary-thyroid axis and sympathetic nervous system involvement in hyperthermia induced by 3,4-methylenedioxymethamphetamine (Ecstasy). The Journal of pharmacology and experimental therapeutics 20030401
Chromatographic and spectroscopic methods of identification for the side-chain regioisomers of 3,4-methylenedioxyphenethylamines related to MDEA, MDMMA, and MBDB. Journal of chromatographic science 20030101
Determination of paramethoxyamphetamine and other amphetamine-related designer drugs by liquid chromatography/sonic spray ionization mass spectrometry. Rapid communications in mass spectrometry : RCM 20020101
Properties