Benzenepropanoic acid, b-amino-, ethyl ester,hydrochloride (1:1), (bR)- (340188-50-3)

The (R)-3-Amino-3-phenylpropanoic acid ethyl ester hydrochloride, with the CAS registry number 340188-50-3, is also known as Benzenepropanoic acid, β-amino-, ethyl ester, (betaR)-, hydrochloride (1:1). This chemical's molecular formula is C₁₁H₁₅NO₂.HCl and formula weight is 229.70. What's more, its systematic name is called Ethyl (3R)-3-amino-3-phenylpropanoate hydrochloride. This chemical is white powder.

Physical properties about this chemical are: (1)ACD/LogP: 1.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.96; (4)ACD/LogD (pH 7.4): 0.59; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 13.15; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 29.54 Å²; (13)Flash Point: 154.7 °C; (14)Enthalpy of Vaporization: 53.9 kJ/mol; (15)Boiling Point: 299 °C at 760 mmHg; (16)Melting Point: 119 °C; (17)Vapour Pressure: 0.00122 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is harmful by inhalation, in contact with skin and if swallowed. Besides, it may irritate to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O=C(OCC)C[C@@H](N)c1ccccc1
(2)InChI: InChI=1/C11H15NO2.ClH/c1-2-14-11(13)8-10(12)9-6-4-3-5-7-9;/h3-7,10H,2,8,12H2,1H3;1H/t10-;/m1./s1
(3)InChIKey: ATSZQDTVNRNXKB-HNCPQSOCBJ