Home Other Building Blocks 2-isobutoxy-4-methylaniline

2-isobutoxy-4-methylaniline

CAS No.:
640767-55-1
Catalog Number:
AG01DJ0L
Molecular Formula:
C11H17NO
Molecular Weight:
179.2588
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Product Description
Catalog Number:
AG01DJ0L
Chemical Name:
2-isobutoxy-4-methylaniline
CAS Number:
640767-55-1
Molecular Formula:
C11H17NO
Molecular Weight:
179.2588
MDL Number:
MFCD09931982
IUPAC Name:
4-methyl-2-(2-methylpropoxy)aniline
InChI:
InChI=1S/C11H17NO/c1-8(2)7-13-11-6-9(3)4-5-10(11)12/h4-6,8H,7,12H2,1-3H3
InChI Key:
WHLGFFSPQBDKQO-UHFFFAOYSA-N
SMILES:
CC(COc1cc(C)ccc1N)C
Properties
Complexity:
147  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.131g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
179.263g/mol
Monoisotopic Mass:
179.131g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties