CAS No.50909-86-9,COELENTERAZINE H Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	50909-86-9
Name:	COELENTERAZINE H
Article Data:	4

Formula:	C₂₆H₂₁N₃O₂
Molecular Weight:	407.472
Synonyms:	2-Deoxycoelenterazine;Coelenterazine h;Luciferin (Renilla);Renilla luciferin;h-Coelenterazine;
Density:	1.26 g/cm³
Melting Point:	>200℃
Boiling Point:	593.5 °C at 760 mmHg
Flash Point:	312.7 °C
Appearance:	Yellow to brownish powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	70.39000
LogP:	4.57680

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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 C₂₆H₂₁N₃O₂and 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