CAS No.26774-88-9,(R)-(-)-2-(2,5-Dihydrophenyl)glycine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	26774-88-9
Name:	(R)-(-)-2-(2,5-Dihydrophenyl)glycine
Article Data:	2

Formula:	C₈H₁₁NO₂
Molecular Weight:	153.181
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;
EINECS:	247-999-1
Density:	1.226 g/cm³
Melting Point:	280 °C (dec.)(lit.)
Boiling Point:	279.4 °C at 760 mmHg
Flash Point:	122.8 °C
Appearance:	White powder
Safety:	24/25
PSA:	63.32000
LogP:	1.37500

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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