(S)-3-Amino-3-phenylpropanoic acid ethyl ester hydrochloride supplier

Name
(S)-3-Amino-3-phenylpropanoic acid ethyl ester hydrochloride
EINECS 605-490-5
CAS No. 167834-24-4
Density
Solubility
Melting Point 117 °C
Formula C₁₁H₁₅NO₂^.HCl
Boiling Point 332.6 °C at 760 mmHg
Molecular Weight 229.70
Flash Point 154.9 °C
Transport Information
Appearance white powder
Safety 37/39-26
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Benzenepropanoicacid, b-amino-, ethyl ester,hydrochloride, (S)-;Benzenepropanoic acid, b-amino-, ethyl ester, hydrochloride, (bS)- (9CI);S-3-amino-3-phenylpropanoic acid ethyl ester;
PSA 52.32000
LogP 3.14190

(S)-3-Amino-3-phenylpropanoic acid ethyl ester hydrochloride Specification

The (S)-3-Amino-3-phenylpropanoic acid ethyl ester hydrochloride, with the cas number 167834-24-4, is also called Benzenepropanoic acid, b-amino-, ethyl ester,hydrochloride (1:1), (bS)-. Both the systematic name and IUPAC name are ethyl (3S)-3-amino-3-phenylpropanoate hydrochloride. Its molecular formula is C₁₁H₁₅NO₂^.HCl. This chemical is white powder.

The properties of the chemical are: (1)ACD/LogP: 1.86; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 52.32 Å²; (7)Flash Point: 154.9 °C; (8)Enthalpy of Vaporization: 58.68 kJ/mol; (9)Boiling Point: 332.6 °C at 760 mmHg; (10)Vapour Pressure: 0.000104 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: N[C@@H](CC(=O)OCC)c1ccccc1.Cl
(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-;/m0./s1
(3)InChIKey: ATSZQDTVNRNXKB-PPHPATTJBX

Product Name

(S)-3-Amino-3-phenylpropanoic acid ethyl ester hydrochloride

(S)-3-Amino-3-phenylpropanoic acid ethyl ester hydrochloride Specification

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