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Coelenterazine H

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Name

Coelenterazine H

EINECS N/A
CAS No. 50909-86-9 Density 1.26 g/cm3
PSA 70.39000 LogP 4.57680
Solubility N/A Melting Point >200℃
Formula C26H21N3O2 Boiling Point 593.5 °C at 760 mmHg
Molecular Weight 407.472 Flash Point 312.7 °C
Transport Information N/A Appearance Yellow to brownish powder
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 50909-86-9 (COELENTERAZINE H) Hazard Symbols IrritantXi
Synonyms

2-Deoxycoelenterazine;Coelenterazine h;Luciferin (Renilla);Renilla luciferin;h-Coelenterazine;

Article Data 4

Coelenterazine H Specification

The CAS register number of Coelenterazine H is 50909-86-9. It also can be called as Imidazo[1,2-a]pyrazin-3(7H)-one, 6-(4-hydroxyphenyl)-2,8-bis(phenylmethyl)- and the systematic name about this chemical is 2,8-dibenzyl-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3(7H)-one. The molecular formula about this chemical is C26H21N3O2 and the molecular weight is 407.46.

Physical properties about Coelenterazine H are: (1)ACD/LogP: 4.60; (2)ACD/LogD (pH 5.5): 2.67; (3)ACD/LogD (pH 7.4): 3.69; (4)ACD/BCF (pH 5.5): 21.5; (5)ACD/BCF (pH 7.4): 227.84; (6)ACD/KOC (pH 5.5): 88.18; (7)ACD/KOC (pH 7.4): 934.35; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 45.14Å2; (12)Index of Refraction: 1.675; (13)Molar Refractivity: 121.39 cm3; (14)Molar Volume: 323 cm3; (15)Polarizability: 48.12x10-24cm3; (16)Surface Tension: 52.4 dyne/cm; (17)Enthalpy of Vaporization: 91.74 kJ/mol; (18)Boiling Point: 593.5 °C at 760 mmHg; (19)Vapour Pressure: 1.11E-14 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C/1N3/C=C(\N\C(=C3\N=C\1Cc2ccccc2)Cc4ccccc4)c5ccc(O)cc5
(2)InChI: InChI=1/C26H21N3O2/c30-21-13-11-20(12-14-21)24-17-29-25(22(27-24)15-18-7-3-1-4-8-18)28-23(26(29)31)16-19-9-5-2-6-10-19/h1-14,17,27,30H,15-16H2
(3)InChIKey: KAEGGIFPLJZUOZ-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C26H21N3O2/c30-21-13-11-20(12-14-21)24-17-29-25(22(27-24)15-18-7-3-1-4-8-18)28-23(26(29)31)16-19-9-5-2-6-10-19/h1-14,17,27,30H,15-16H2
(5)Std. InChIKey: KAEGGIFPLJZUOZ-UHFFFAOYSA-N

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