Home Other Building Blocks 3-[(2H-1,3-benzodioxol-5-yloxy)methyl]aniline

3-[(2H-1,3-benzodioxol-5-yloxy)methyl]aniline

CAS No.:
1019395-25-5
Catalog Number:
AG019V3C
Molecular Formula:
C14H13NO3
Molecular Weight:
243.2579
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Product Description
Catalog Number:
AG019V3C
Chemical Name:
3-[(2H-1,3-benzodioxol-5-yloxy)methyl]aniline
CAS Number:
1019395-25-5
Molecular Formula:
C14H13NO3
Molecular Weight:
243.2579
MDL Number:
MFCD11131653
IUPAC Name:
3-(1,3-benzodioxol-5-yloxymethyl)aniline
InChI:
InChI=1S/C14H13NO3/c15-11-3-1-2-10(6-11)8-16-12-4-5-13-14(7-12)18-9-17-13/h1-7H,8-9,15H2
InChI Key:
PCCAGMYSYCHRJO-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)COc1ccc2c(c1)OCO2
Properties
Complexity:
274  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.09g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
243.262g/mol
Monoisotopic Mass:
243.09g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
53.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties