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ethyl 2-[4-(aminomethyl)phenyl]acetate hydrochloride

ethyl 2-[4-(aminomethyl)phenyl]acetate hydrochloride

CAS: 17841-69-9

Formula: C11H16ClNO2

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

IUPAC: ethyl 2-[4-(aminomethyl)phenyl]acetate hydrochloride

InChI: InChI=1S/C11H15NO2.ClH/c1-2-14-11(13)7-9-3-5-10(8-12)6-4-9;/h3-6H,2,7-8,12H2,1H3;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 2
Hydrogen Bond Donor Count 1
InChIKey SSXOEPBHTWEJLZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.36
Topological Polar Surface Area 52.32
Polarizability 21.82
Ring Count 1
Rotatable Bond Count 5

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