Home Other Building Blocks N-(2H-1,3-benzodioxol-5-ylmethyl)aniline

N-(2H-1,3-benzodioxol-5-ylmethyl)aniline

CAS No.:
3526-42-9
Catalog Number:
AG01AB43
Molecular Formula:
C14H13NO2
Molecular Weight:
227.2585
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Product Description
Catalog Number:
AG01AB43
Chemical Name:
N-(2H-1,3-benzodioxol-5-ylmethyl)aniline
CAS Number:
3526-42-9
Molecular Formula:
C14H13NO2
Molecular Weight:
227.2585
MDL Number:
MFCD01468475
IUPAC Name:
N-(1,3-benzodioxol-5-ylmethyl)aniline
InChI:
InChI=1S/C14H13NO2/c1-2-4-12(5-3-1)15-9-11-6-7-13-14(8-11)17-10-16-13/h1-8,15H,9-10H2
InChI Key:
YFPTUQPYCPKYRU-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)NCc1ccc2c(c1)OCO2
Properties
Complexity:
240  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.095g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
227.263g/mol
Monoisotopic Mass:
227.095g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties