N,N'-Di-tert-butoxycarbonyl-L-histidine supplier

Name
N,N'-Di-tert-butoxycarbonyl-L-histidine
EINECS
CAS No. 20866-46-0
Article Data23
CAS DataBase
Density 1.22 g/cm³
Solubility
Melting Point
Formula C₁₆H₂₅N₃O₆
Boiling Point
Molecular Weight 355.391
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Histidine,N,1-dicarboxy-, di-tert-butyl ester, L- (8CI);4-[2-[(tert-Butoxycarbonyl)amino]-2-carboxyethyl]imidazole-1-carboxylic acidtert-butyl ester;N,N'-Di(Boc)-L-histidine;N,N'-Di(tert-Butoxycarbonyl)-L-histidine;
PSA 119.75000
LogP 2.57760

N,N'-Di-tert-butoxycarbonyl-L-histidine Specification

The N,N'-Di-tert-butoxycarbonyl-L-histidine, with the CAS registry number 20866-46-0, is also known as Boc-His(Boc)-OH. It belongs to the product categories of Amino Acid Derivatives; Amino Acids; Histidine [His, H]; Boc-Amino Acids and Derivative; Boc-Amino Acid Series. This chemical's molecular formula is C₁₆H₂₅N₃O₆ and molecular weight is 355.3862. Its systematic name is called N,1-bis(tert-butoxycarbonyl)-L-histidine. The product should be stored at temperature of -15°C.

Physical properties of N,N'-Di-tert-butoxycarbonyl-L-histidine: (1)ACD/LogP: 2.05; (2)ACD/LogD (pH 5.5): -0.25; (3)ACD/LogD (pH 7.4): -1.57; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.55; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 9; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 8; (11)Index of Refraction: 1.533; (12)Molar Refractivity: 89.94 cm³; (13)Molar Volume: 289.4 cm³; (14)Surface Tension: 41.9 dyne/cm; (15)Density: 1.22 g/cm³.

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(C(=O)OC(C)(C)C)c1
(2)InChI: InChI=1/C16H25N3O6/c1-15(2,3)24-13(22)18-11(12(20)21)7-10-8-19(9-17-10)14(23)25-16(4,5)6/h8-9,11H,7H2,1-6H3,(H,18,22)(H,20,21)/t11-/m0/s1
(3)InChIKey: IXHPIPUIOSSAIS-NSHDSACABP

Product Name

N,N'-Di-tert-butoxycarbonyl-L-histidine

N,N'-Di-tert-butoxycarbonyl-L-histidine Specification

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