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1134691-04-5 | Benzenepropanoic acid, 4-(dimethylamino)-, hydrochloride (1:1)
CAS No: 1134691-04-5 Catalog No: AG0008OL MDL No:MFCD06797873
Product Description
Catalog Number:
AG0008OL
Chemical Name:
Benzenepropanoic acid, 4-(dimethylamino)-, hydrochloride (1:1)
CAS Number:
1134691-04-5
Molecular Formula:
C11H16ClNO2
Molecular Weight:
229.7032
MDL Number:
MFCD06797873
IUPAC Name:
3-[4-(dimethylamino)phenyl]propanoic acid;hydrochloride
InChI:
InChI=1S/C11H15NO2.ClH/c1-12(2)10-6-3-9(4-7-10)5-8-11(13)14;/h3-4,6-7H,5,8H2,1-2H3,(H,13,14);1H
InChI Key:
WYNBFJDEOYTIGZ-UHFFFAOYSA-N
SMILES:
CN(c1ccc(cc1)CCC(=O)O)C.Cl
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.087g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
229.704g/mol
Monoisotopic Mass:
229.087g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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