CAS No.50654-94-9,BOC-D-HIS-OH Suppliers

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Basic Information

Molecular Structure:
CAS No.:	50654-94-9
Name:	BOC-D-HIS-OH

Formula:	C₁₁H₁₇N₃O₄
Molecular Weight:	255.2704
Synonyms:	(R)-2-((tert-Butoxycarbonyl)amino)-3-(1H-imidazol-4-yl)propionicacid;N-(tert-Butoxycarbonyl)-D-histidine;Na-tert-Butoxycarbonyl-D-histidine;2-[(tert-butoxycarbonyl)amino]-3-(1H-imidazol-4-yl)propanoic acid;
Density:	1.275 g/cm³
Melting Point:	193-197 °C
Boiling Point:	522.2 °C at 760 mmHg
Flash Point:	269.6 °C
Appearance:	white powder
Safety:	24/25
PSA:	104.31000
LogP:	1.32100

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Specification

The CAS register number of D-Histidine,N-[(1,1-dimethylethoxy)carbonyl]- is 50654-94-9. It also can be called as 2-[(tert-butoxycarbonyl)amino]-3-(1H-imidazol-4-yl)propanoic acid and the IUPAC name about this chemical is 3-(1H-imidazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid. The molecular formula about this chemical is C₁₁H₁₇N₃O₄and the molecular weight is 255.27. It belongs to the following product categories, such as Amino Acid Derivatives; Amino Acids and so on. When you are using it, please avoid contact with skin and eyes.

Physical properties about D-Histidine,N-[(1,1-dimethylethoxy)carbonyl]- are: (1)ACD/LogP: 0.58; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 7; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 6; (9)Polar Surface Area: 73.66Å²; (10)Index of Refraction: 1.541; (11)Molar Refractivity: 62.98 cm³; (12)Molar Volume: 200.1 cm³; (13)Polarizability: 24.96x10^-24cm³; (14)Surface Tension: 54.2 dyne/cm; (15)Enthalpy of Vaporization: 83.75 kJ/mol; (16)Boiling Point: 522.2 °C at 760 mmHg; (17)Vapour Pressure: 9.89E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)NC(C(=O)O)Cc1cncn1
(2)InChI: InChI=1/C11H17N3O4/c1-11(2,3)18-10(17)14-8(9(15)16)4-7-5-12-6-13-7/h5-6,8H,4H2,1-3H3,(H,12,13)(H,14,17)(H,15,16)
(3)InChIKey: AYMLQYFMYHISQO-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C11H17N3O4/c1-11(2,3)18-10(17)14-8(9(15)16)4-7-5-12-6-13-7/h5-6,8H,4H2,1-3H3,(H,12,13)(H,14,17)(H,15,16)
(5)Std. InChIKey: AYMLQYFMYHISQO-UHFFFAOYSA-N