CAS No.17609-48-2,D-(-)-ALPHA-PHENYLGLYCINE ETHYL ESTER HYDROCHLORIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	17609-48-2
Name:	D-(-)-ALPHA-PHENYLGLYCINE ETHYL ESTER HYDROCHLORIDE
Article Data:	7

Formula:	C₁₀H₁₃NO₂^.ClH
Molecular Weight:	215.68
Synonyms:	Benzeneaceticacid, α-amino-, ethyl ester,hydrochloride, (R)-;Benzeneacetic acid, α-amino-, ethyl ester, hydrochloride, (αR)- (9CI);Glycine, 2-phenyl-,ethyl ester, monohydrochloride, D-(-)- (8CI);(R)-(+)-Phenylglycine ethyl esterhydrochloride;(R)-Phenylglycine ethyl ester hydrochloride;D-(-)-α-Phenylglycine ethyl esterhydrochloride;D-Phenylglycine ethyl ester hydrochloride;D-α-Phenylglycine ethyl esterhydrochloride;Ethyl (2R)-2-amino-2-(phenyl)acetate hydrochloride;Ethyl D-(-)-α-phenylglycinate hydrochloride;Ethyl D-phenylglycinate hydrochloride;
EINECS:	241-581-2
Density:	1.098g/cm³
Melting Point:	189-191°C
Boiling Point:	293.5 °C at 760 mmHg
Flash Point:	131.3 °C
Solubility:	Soluble in water.
Hazard Symbols:	Xi
Risk Codes:	41
Safety:	22-24/25
PSA:	52.32000
LogP:	2.75180

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Specification

The Benzeneacetic acid, α-amino-, ethyl ester,hydrochloride (1:1), (αR)-, with the CAS registry number 17609-48-2, is also known as (R)-(+)-Phenylglycine ethyl esterhydrochloride. Its EINECS number is 241-581-2. This chemical's molecular formula is C₁₀H₁₃NO₂^.ClH and formula weight is 215.68. What's more, its IUPAC name is amino (2R)-2-phenylbutanoate hydrochloride. You should not breathe dust. You should avoid contact with skin and eyes.

Physical properties of Benzeneacetic acid, α-amino-, ethyl ester,hydrochloride (1:1), (αR)- are:(1)ACD/LogP: 1.67; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 5; (6)Exact Mass: 215.071306; (7)MonoIsotopic Mass: 215.071306; (8)Heavy Atom Count: 14; (9)Complexity: 164; (10)Defined Atom StereoCenter Count: 1; (11)Covalently-Bonded Unit Count: 2; (12)Polar Surface Area: 52.32 Å²; (13)Flash Point: 131.3 °C; (14)Enthalpy of Vaporization: 54.38 kJ/mol; (15)Boiling Point: 293.5 °C at 760 mmHg; (16)Vapour Pressure: 0.0013 mmHg at 25°C.

Uses of Benzeneacetic acid, α-amino-, ethyl ester,hydrochloride (1:1), (αR)- : it can be used to produce [2-chloro-2-(4-chloro-phenyl)-acetylamino]-phenyl-acetic acid ethyl ester at the temperature of -78 - 20 °C. It will need reagent Et₃N and solvent diethyl ether, hexane with the reaction time of 15min. It's a reaction of acylation. The yield is about 89%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCC(C1=CC=CC=C1)C(=O)ON.Cl
(2)Isomeric SMILES: CC[C@H](C1=CC=CC=C1)C(=O)ON.Cl
(3)InChI: InChI=1S/C10H13NO2.ClH/c1-2-9(10(12)13-11)8-6-4-3-5-7-8;/h3-7,9H,2,11H2,1H3;1H/t9-;/m1./s1
(4)InChIKey: YPRZXKZERXUKRU-SBSPUUFOSA-N