3-[4-(dimethylamino)phenyl]propanoic acid hydrochloride

3-[4-(dimethylamino)phenyl]propanoic acid hydrochloride

CAS: 1134691-04-5

Formula: C11H16ClNO2

SMILES: Cl.CN(C)C1=CC=C(CCC(O)=O)C=C1

IUPAC: 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

Composition: C (57.52%), H (7.02%), Cl (15.43%), N (6.10%), O (13.93%)

Molar Mass: 229.7

Atom Count: 31

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	229.0869565
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	WYNBFJDEOYTIGZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.4
Topological Polar Surface Area	40.54
Polarizability	21.18
Ring Count	1
Rotatable Bond Count	4

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