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29957-04-8

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Basic Information
CAS No.: 29957-04-8
Name: 1-(octylamino)anthracene-9,10-dione
Molecular Structure:
Molecular Structure of 29957-04-8 (1-(octylamino)anthracene-9,10-dione)
Formula: C22H25 N O2
Molecular Weight: 335.446
Synonyms: Anthraquinone,1-(octylamino)- (8CI); 1-(Octylamino)-9,10-anthracenedione;1-(Octylamino)anthraquinone; NSC 16215
Density: 1.14g/cm3
Boiling Point: 523.1°Cat760mmHg
Flash Point: 171°C
PSA: 46.17000
LogP: 5.30740
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Chemistry

Molecular Structure of Carycinel Red (CAS No.29957-04-8):

Molecular Formula: C22H25NO2
Molecular Weight: 335.4394
IUPAC Name: 1-(Octylamino)anthracene-9,10-dione
CAS No: 29957-04-8
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 8
Polar Surface Area: 37.38 Å2
Index of Refraction: 1.6
Molar Refractivity: 100.7 cm3
Molar Volume: 294 cm3
Surface Tension: 49.9 dyne/cm
Density: 1.14 g/cm3
Flash Point: 171 °C
Enthalpy of Vaporization: 79.66 kJ/mol
Boiling Point: 523.1 °C at 760 mmHg
Vapour Pressure: 4.89E-11 mmHg at 25°C
InChI: InChI=1/C22H25NO2/c1-2-3-4-5-6-9-15-23-19-14-10-13-18-20(19)22(25)17-12-8-7-11-16(17)21(18)24/h7-8,10-14,23H,2-6,9,15H2,1H3
InChIKey: HWPGNGZETQUYKA-UHFFFAOYAY
Std. InChI: InChI=1S/C22H25NO2/c1-2-3-4-5-6-9-15-23-19-14-10-13-18-20(19)22(25)17-12-8-7-11-16(17)21(18)24/h7-8,10-14,23H,2-6,9,15H2,1H3
Std. InChIKey: HWPGNGZETQUYKA-UHFFFAOYSA-N
Synonyms of Carycinel Red (CAS No.29957-04-8): 1-(octylamino)anthracene-9,10-dione