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1-(Triphenylmethyl)-D-histidine

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Name

1-(Triphenylmethyl)-D-histidine

EINECS N/A
CAS No. 199119-46-5 Density 1.19 g/cm3
PSA 81.14000 LogP 4.37800
Solubility N/A Melting Point N/A
Formula C25H23N3O2 Boiling Point 584.8oC at 760 mmHg
Molecular Weight 397.477 Flash Point 307.5oC
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 199119-46-5 (N-im-Trityl-D-histidine) Hazard Symbols N/A
Synonyms

Histidine, 1-(triphenylmethyl)-;1-Tritylhistidine;

Article Data 9

1-(Triphenylmethyl)-D-histidine Specification

The CAS register number of D-Histidine, 1-(triphenylmethyl)- is 199119-46-5. It also can be called as Histidine, 1-(triphenylmethyl)-  and the systematic name about this chemical is 1-tritylhistidine. The molecular formula about this chemical is C25H23N3O2 and the molecular weight is 397.469.

Physical properties about D-Histidine, 1-(triphenylmethyl)- are: (1)ACD/LogP: 3.74; (2)ACD/LogD (pH 5.5): 0.99; (3)ACD/LogD (pH 7.4): 1.19; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1.15; (6)ACD/KOC (pH 5.5): 4.61; (7)ACD/KOC (pH 7.4): 7.22; (8)#H bond acceptors: 5; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 8; (11)Polar Surface Area: 47.36Å2; (12)Index of Refraction: 1.631; (13)Molar Refractivity: 118.73 cm3; (14)Molar Volume: 332.9 cm3; (15)Polarizability: 47.06x10-24cm3; (16)Surface Tension: 50.5 dyne/cm; (17)Enthalpy of Vaporization: 91.9 kJ/mol; (18)Boiling Point: 584.8 °C at 760 mmHg; (19)Vapour Pressure: 1.62E-14 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(N)Cc1ncn(c1)C(c2ccccc2)(c3ccccc3)c4ccccc4
(2)InChI: InChI=1/C25H23N3O2/c26-23(24(29)30)16-22-17-28(18-27-22)25(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,17-18,23H,16,26H2,(H,29,30)
(3)InChIKey: BSZQZNOAYQCQFZ-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C25H23N3O2/c26-23(24(29)30)16-22-17-28(18-27-22)25(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,17-18,23H,16,26H2,(H,29,30)
(5)Std. InChIKey: BSZQZNOAYQCQFZ-UHFFFAOYSA-N

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