ethyl 2-amino-3-(4-methoxyphenyl)propanoate hydrochloride

ethyl 2-amino-3-(4-methoxyphenyl)propanoate hydrochloride

CAS: 79751-43-2

Formula: C12H18ClNO3

SMILES: Cl.CCOC(=O)C(N)CC1=CC=C(OC)C=C1

IUPAC: ethyl 2-amino-3-(4-methoxyphenyl)propanoate hydrochloride

InChI: InChI=1/C12H17NO3.ClH/c1-3-16-12(14)11(13)8-9-4-6-10(15-2)7-5-9;/h4-7,11H,3,8,13H2,1-2H3;1H

Composition: C (55.49%), H (6.99%), Cl (13.65%), N (5.39%), O (18.48%)

Molar Mass: 259.73

Atom Count: 35

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	259.0975211
Formal Charge	0
FSP3	0.42
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	FLMKCSGNZMMXDN-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.1
Topological Polar Surface Area	61.55
Polarizability	24.34
Ring Count	1
Rotatable Bond Count	6

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