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| CAS No.: | 50909-86-9 |
|---|---|
| Name: | COELENTERAZINE H |
| Molecular Structure: | |
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| 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 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