N'-Trityl-L-histidine supplier

Name
H-HIS(TRT)-OH
EINECS 609-078-6
CAS No. 35146-32-8
Article Data5
CAS DataBase
Density 1.19 g/cm³
Solubility
Melting Point 210℃
Formula C₂₅H₂₃N₃O₂
Boiling Point 584.8 °C at 760 mmHg
Molecular Weight 397.477
Flash Point 307.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms H-His(Trt)-OH;
PSA 81.14000
LogP 4.37800

N'-Trityl-L-histidine Specification

The L-Histidine, 1-(triphenylmethyl)-, with the CAS registry number 35146-32-8, is also known as 1-Trityl-L-histidine. It belongs to the product categories of Histidine [His, H]; Amino Acids and Derivatives; Amino Acid Derivatives; Histidine and Peptide Synthesis. This chemical's molecular formula is C₂₅H₂₃N₃O₂ and molecular weight is 397.47. What's more, its systematic name is called (2S)-2-Ammonio-3-(1-trityl-1H-imidazol-4-yl)propanoate.

Physical properties about this chemical are: (1) ACD/LogP: 3.74; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 0.99; (4) ACD/LogD (pH 7.4): 1.19; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1.15; (7) ACD/KOC (pH 5.5): 4.61; (8) ACD/KOC (pH 7.4): 7.22; (9) #H bond acceptors: 5; (10) #H bond donors: 3; (11) #Freely Rotating Bonds: 8; (12) Polar Surface Area: 55.12 Å²; (13) Index of Refraction: 1.631; (14) Molar Refractivity: 118.73 cm³; (15) Molar Volume: 332.9 cm³; (16) Surface Tension: 50.5 dyne/cm; (17) Density: 1.19 g/cm³; (18) Flash Point: 307.5 °C; (19) Enthalpy of Vaporization: 91.9 kJ/mol; (20) Boiling Point: 584.8 °C at 760 mmHg; (21) 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@@H]([NH3+])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)/t23-/m0/s1
(3) InChIKey: BSZQZNOAYQCQFZ-QHCPKHFHBF

Product Name

H-HIS(TRT)-OH

N'-Trityl-L-histidine Specification

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