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3- (4-Dimethylaminophenyl) propionic acid hydrochloride

CAT: 0926-FD66878-01Size: 1000 mgDry Ice: NoHazardous: No
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CAT#:0926-FD66878-01Size:1000 mg
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CAS Number
1134691-04-5
Synonyms
3-[4- (Dimethylamino) phenyl]propanoic acid hydrochloride
MDL Number
MFCD06797873
Smiles
CN (C) C1=CC=C (C=C1) CCC (=O) O.Cl
Molecular Formula
C11H15NO2•HCl
Molecular Weight
229.7 g/mol
Controlled
No

Chemical Information

3-(4-(Dimethylamino)Phenyl)Propanoic Acid Hydrochloride
CAS Number1134691-04-5
PubChem CID24721206
IUPAC Name3-[4-(dimethylamino)phenyl]propanoic acid;hydrochloride
Molecular FormulaC11H16ClNO2
Molecular Weight229.70
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count15
Formal Charge0
Complexity184
SMILES
CN(C)C1=CC=C(C=C1)CCC(=O)O.Cl
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
InChIKey
WYNBFJDEOYTIGZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(4-(Dimethylamino)Phenyl)Propanoic Acid Hydrochloride
CAS: 1134691-04-5
CID: 24721206
Formula: C11H16ClNO2
MW: 229.70
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight229.70
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass229.0869564
Monoisotopic Mass229.0869564
Topological Polar Surface Area40.5 Ų
Heavy Atom Count15
Formal Charge0
Complexity184
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes