Home Other Building Blocks 3,5-dimethoxy-4-methylaniline

3,5-dimethoxy-4-methylaniline

CAS No.:
78025-93-1
Catalog Number:
AG01A68D
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
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Product Description
Catalog Number:
AG01A68D
Chemical Name:
3,5-dimethoxy-4-methylaniline
CAS Number:
78025-93-1
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
MDL Number:
MFCD20691409
IUPAC Name:
3,5-dimethoxy-4-methylaniline
InChI:
InChI=1S/C9H13NO2/c1-6-8(11-2)4-7(10)5-9(6)12-3/h4-5H,10H2,1-3H3
InChI Key:
ILVRAUPHOFUERY-UHFFFAOYSA-N
SMILES:
COc1cc(N)cc(c1C)OC
Properties
Complexity:
127  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.095g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
167.208g/mol
Monoisotopic Mass:
167.095g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties