Home Aminos 4-[methyl(2-methylpropyl)amino]benzoic acid hydrochloride

4-[methyl(2-methylpropyl)amino]benzoic acid hydrochloride

CAS No.:
1221723-09-6
Catalog Number:
AG01A7LH
Molecular Formula:
C12H18ClNO2
Molecular Weight:
243.7298
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Product Description
Catalog Number:
AG01A7LH
Chemical Name:
4-[methyl(2-methylpropyl)amino]benzoic acid hydrochloride
CAS Number:
1221723-09-6
Molecular Formula:
C12H18ClNO2
Molecular Weight:
243.7298
MDL Number:
MFCD14705725
IUPAC Name:
4-[methyl(2-methylpropyl)amino]benzoic acid;hydrochloride
InChI:
InChI=1S/C12H17NO2.ClH/c1-9(2)8-13(3)11-6-4-10(5-7-11)12(14)15;/h4-7,9H,8H2,1-3H3,(H,14,15);1H
InChI Key:
PYCPWONGHVICDQ-UHFFFAOYSA-N
SMILES:
CC(CN(c1ccc(cc1)C(=O)O)C)C.Cl
Properties
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.103g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
243.731g/mol
Monoisotopic Mass:
243.103g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties