Home Other Building Blocks 1,3-DIOXAINDANE-4-ETHANAMINE

1,3-DIOXAINDANE-4-ETHANAMINE

CAS No.:
33542-90-4
Catalog Number:
AG01DWCJ
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
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Product Description
Catalog Number:
AG01DWCJ
Chemical Name:
1,3-DIOXAINDANE-4-ETHANAMINE
CAS Number:
33542-90-4
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
MDL Number:
MFCD08448870
IUPAC Name:
2-(1,3-benzodioxol-4-yl)ethanamine
InChI:
InChI=1S/C9H11NO2/c10-5-4-7-2-1-3-8-9(7)12-6-11-8/h1-3H,4-6,10H2
InChI Key:
WGQBCGOHTNBZHW-UHFFFAOYSA-N
SMILES:
NCCc1cccc2c1OCO2
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:
1.1  
Literature
Title Journal
GC-MS studies on the regioisomeric 2,3- and 3,4-methylenedioxyphenethylamines related to MDEA, MDMMA, and MBDB. Journal of chromatographic science 20070101
Properties