Home Aminos 4-[butyl(methyl)amino]benzoic acid

4-[butyl(methyl)amino]benzoic acid

CAS No.:
75681-64-0
Catalog Number:
AG01A7FI
Molecular Formula:
C12H17NO2
Molecular Weight:
207.2689
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Product Description
Catalog Number:
AG01A7FI
Chemical Name:
4-[butyl(methyl)amino]benzoic acid
CAS Number:
75681-64-0
Molecular Formula:
C12H17NO2
Molecular Weight:
207.2689
MDL Number:
MFCD11156535
IUPAC Name:
4-[butyl(methyl)amino]benzoic acid
InChI:
InChI=1S/C12H17NO2/c1-3-4-9-13(2)11-7-5-10(6-8-11)12(14)15/h5-8H,3-4,9H2,1-2H3,(H,14,15)
InChI Key:
MVQQSIJJJGMLEG-UHFFFAOYSA-N
SMILES:
CCCCN(c1ccc(cc1)C(=O)O)C
Properties
Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.126g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
207.273g/mol
Monoisotopic Mass:
207.126g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties