3-{[1-(3,4-dimethoxyphenyl)ethyl](methyl)amino}propanoic acid hydrochloride

3-{[1-(3,4-dimethoxyphenyl)ethyl](methyl)amino}propanoic acid hydrochloride

CAS: 1049790-67-1

Formula: C14H22ClNO4

SMILES: Cl.COC1=C(OC)C=C(C=C1)C(C)N(C)CCC(O)=O

IUPAC: 3-{[1-(3,4-dimethoxyphenyl)ethyl](methyl)amino}propanoic acid hydrochloride

InChI: InChI=1/C14H21NO4.ClH/c1-10(15(2)8-7-14(16)17)11-5-6-12(18-3)13(9-11)19-4;/h5-6,9-10H,7-8H2,1-4H3,(H,16,17);1H

Composition: C (55.35%), H (7.30%), Cl (11.67%), N (4.61%), O (21.07%)

Molar Mass: 303.78

Atom Count: 42

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	303.1237359
Formal Charge	0
FSP3	0.5
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	QBSRWQFKZRNXNT-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	72.73
Topological Polar Surface Area	59
Polarizability	28.46
Ring Count	1
Rotatable Bond Count	7

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