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(R)-(-)-2-(2,5-Dihydrophenyl)glycine

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Name

(R)-(-)-2-(2,5-Dihydrophenyl)glycine

EINECS 247-999-1
CAS No. 26774-88-9 Density 1.226 g/cm3
PSA 63.32000 LogP 1.37500
Solubility N/A Melting Point 280 °C (dec.)(lit.)
Formula C8H11NO2 Boiling Point 279.4 °C at 760 mmHg
Molecular Weight 153.181 Flash Point 122.8 °C
Transport Information N/A Appearance White powder
Safety 24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 26774-88-9 ((R)-(-)-2-(2,5-Dihydrophenyl)glycine) Hazard Symbols N/A
Synonyms

1,4-Cyclohexadiene-1-acetic acid, a-amino-, D-(-)- (8CI);D-1,4-Cyclohexadienylglycine;D-2,5-Dihydrophenylglycine;D-2-(1,4-Cyclohexadienyl)glycine;D-a-Amino-1,4-cyclohexadiene-1-aceticacid;(2R)-amino(cyclohexa-1,4-dien-1-yl)ethanoic acid;(R)-α-aminocyclohexa-1,4-diene-1-acetic acid;(R)-α-Amino-1-(1,4-cyclohexadienyl)acetic acid;

Article Data 2

(R)-(-)-2-(2,5-Dihydrophenyl)glycine Specification

The (R)-(-)-2-(2,5-Dihydrophenyl)glycine, with the CAS registry number 26774-88-9 and EINECS registry number 247-999-1, has the systematic name of (2R)-amino(cyclohexa-1,4-dien-1-yl)ethanoic acid. It is a kind of white powder, and belongs to the product category of Pharmaceutical Intermediates. And the molecular formula of the chemical is C8H11NO2. What's more, while dealing with this chemical, you should avoid contacting with skin and eyes.

The characteristics of (R)-(-)-2-(2,5-Dihydrophenyl)glycine are as followings: (1)ACD/LogP: 1.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.35; (4)ACD/LogD (pH 7.4): -1.35; (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): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 41.2 cm3; (15)Molar Volume: 124.9 cm3; (16)Polarizability: 16.33×10-24cm3; (17)Surface Tension: 56.2 dyne/cm; (18)Density: 1.226 g/cm3; (19)Flash Point: 122.8 °C; (20)Enthalpy of Vaporization: 57.02 kJ/mol; (21)Boiling Point: 279.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00107 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)[C@H](N)/C1=C/C\C=C/C1
(2)InChI: InChI=1/C8H11NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-2,5,7H,3-4,9H2,(H,10,11)/t7-/m1/s1
(3)InChIKey: JBJJTCGQCRGNOL-SSDOTTSWBT

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