CAS No.32926-43-5,N-Boc-N'-trityl-L-histidine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	32926-43-5
Name:	N-Boc-N'-trityl-L-histidine
Article Data:	2

Formula:	C₃₀H₃₁N₃O₄
Molecular Weight:	497.594
Synonyms:	Histidine,N-carboxy-1-trityl-, N-tert-butyl ester, L- (8CI);Boc-His(Trt)-OH;
Density:	1.16 g/cm³
Melting Point:	~130 °C (dec.)
Boiling Point:	667.5 °C at 760 mmHg
Flash Point:	357.5 °C
PSA:	93.45000
LogP:	5.63460

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Specification

The L-Histidine,N-[(1,1-dimethylethoxy)carbonyl]-1-(triphenylmethyl)-, with the CAS registry number 32926-43-5, is also known as Boc-His(Trt)-OH and N-Boc-N'-trityl-L-histidine. It belongs to the product category of Boc-Amino Acids and Derivative; Boc-Amino Acid Series. This chemical's molecular formula is C₃₀H₃₁N₃O₄ and molecular weight is 497.58. What's more, its systematic name is called N-(tert-Butoxycarbonyl)-1-trityl-L-histidine .

Physical properties about L-Histidine,N-[(1,1-dimethylethoxy)carbonyl]-1-(triphenylmethyl)- are: (1) ACD/LogP: 5.59; (2) # of Rule of 5 Violations: 1; (3) ACD/LogD (pH 5.5): 3.13; (4) ACD/LogD (pH 7.4): 2.28; (5) ACD/BCF (pH 5.5): 36.34; (6) ACD/BCF (pH 7.4): 5.1; (7) ACD/KOC (pH 5.5): 91.21; (8) ACD/KOC (pH 7.4): 12.79; (9) #H bond acceptors: 7; (10) #H bond donors: 2; (11) #Freely Rotating Bonds: 10; (12) Polar Surface Area: 73.66 Å²; (13) Index of Refraction: 1.594; (14) Molar Refractivity: 145.13 cm³; (15) Molar Volume: 427.5 cm³; (16)Surface Tension: 45.5 dyne/cm; (17) Density: 1.16 g/cm³; (18) Flash Point: 357.5 °C; (19) Enthalpy of Vaporization: 103.09 kJ/mol; (20) Boiling Point: 667.5 °C at 760 mmHg; (21) Vapour Pressure: 9.93E-19 mmHg at 25 °C; (22) Melting Point: 130 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC(C)(C)C)N[C@H](C(=O)O)Cc1ncn(c1)C(c2ccccc2)(c3ccccc3)c4ccccc4
(2) InChI: InChI=1/C30H31N3O4/c1-29(2,3)37-28(36)32-26(27(34)35)19-25-20-33(21-31-25)30(22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-18,20-21,26H,19H2,1-3H3,(H,32,36)(H,34,35)/t26-/m0/s1
(3) InChIKey: OYXZPXVCRAAKCM-SANMLTNEBG