Home Aminos 2-methyl-3-[(3-methylbutan-2-yl)amino]benzoic acid

2-methyl-3-[(3-methylbutan-2-yl)amino]benzoic acid

CAS No.:
1157410-69-9
Catalog Number:
AG01AKWN
Molecular Formula:
C13H19NO2
Molecular Weight:
221.2955
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Product Description
Catalog Number:
AG01AKWN
Chemical Name:
2-methyl-3-[(3-methylbutan-2-yl)amino]benzoic acid
CAS Number:
1157410-69-9
Molecular Formula:
C13H19NO2
Molecular Weight:
221.2955
MDL Number:
MFCD12042976
IUPAC Name:
2-methyl-3-(3-methylbutan-2-ylamino)benzoic acid
InChI:
InChI=1S/C13H19NO2/c1-8(2)10(4)14-12-7-5-6-11(9(12)3)13(15)16/h5-8,10,14H,1-4H3,(H,15,16)
InChI Key:
LZJYCVCJNOWGEC-UHFFFAOYSA-N
SMILES:
CC(C(C)C)Nc1cccc(c1C)C(=O)O
Properties
Complexity:
240  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.142g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
221.3g/mol
Monoisotopic Mass:
221.142g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties