ethyl 3-amino-2-phenylpropanoate hydrochloride

ethyl 3-amino-2-phenylpropanoate hydrochloride

CAS: 29753-99-9

Formula: C11H16ClNO2

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

IUPAC: ethyl 3-amino-2-phenylpropanoate hydrochloride

InChI: InChI=1/C11H15NO2.ClH/c1-2-14-11(13)10(8-12)9-6-4-3-5-7-9;/h3-7,10H,2,8,12H2,1H3;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	1
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	NNJRPZZMNBNRFJ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.89
Topological Polar Surface Area	52.32
Polarizability	21.82
Ring Count	1
Rotatable Bond Count	5

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95%	<6 Days	29753-99-9		$230.00-$3,751.30$230.00$316.25$435.85$718.75$908.50$1,734.20$2,543.80$3,751.30