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1260789-06-7 | Benzeneacetic acid, 4-amino-2-[(dimethylamino)methyl]-
CAS No: 1260789-06-7 Catalog No: AG000R98 MDL No:
Product Description
Catalog Number:
AG000R98
Chemical Name:
Benzeneacetic acid, 4-amino-2-[(dimethylamino)methyl]-
CAS Number:
1260789-06-7
Molecular Formula:
C11H16N2O2
Molecular Weight:
208.2569
IUPAC Name:
2-[4-amino-2-[(dimethylamino)methyl]phenyl]acetic acid
InChI:
InChI=1S/C11H16N2O2/c1-13(2)7-9-5-10(12)4-3-8(9)6-11(14)15/h3-5H,6-7,12H2,1-2H3,(H,14,15)
InChI Key:
UOKWCKIVLCGODF-UHFFFAOYSA-N
SMILES:
CN(Cc1cc(N)ccc1CC(=O)O)C
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.121g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
208.261g/mol
Monoisotopic Mass:
208.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7
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