CAS No.3253-17-6,H-ALA-HIS-OH Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3253-17-6
Name:	H-ALA-HIS-OH
Article Data:	5

Formula:	C₉H₁₄N₄O₃
Molecular Weight:	226.235
Synonyms:	Alanylhistidine;L-Histidine, N-L-alanyl-;L-Alanyl-L-histidine;Histidine,N-L-alanyl-, L- (8CI);
EINECS:	221-845-3
Density:	1.372 g/cm³
Boiling Point:	629.5 °C at 760mmHg
Flash Point:	334.5 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	16-26-36
PSA:	121.10000
LogP:	-0.04000

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- China (Mainland)(18)
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Specification

This chemical is called L-Histidine, L-alanyl-, and its systematic name is L-alanyl-L-histidine. With the molecular formula of C₉H₁₄N₄O₃, its molecular weight is 226.23. The CAS registry number of this chemical is 3253-17-6. Its product categories are Dipeptides; Dipeptides and Tripeptides; Peptides. Additionally, this chemical should be sealed at the temperature of -20°C.

Other characteristics of the L-Histidine, L-alanyl- can be summarised as followings: (1)ACD/LogP: -2.39; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -5; (4)ACD/LogD (pH 7.4): -4; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 7; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 6 ; (12)Polar Surface Area: 121.1 Å²; (13)Index of Refraction: 1.588; (14)Molar Refractivity: 55.5 cm³; (15)Molar Volume: 164.816 cm³; (16)Polarizability: 22.002×10^-24cm³; (17)Surface Tension: 69.21 dyne/cm; (18)Density: 1.373 g/cm³; (19)Flash Point: 334.537 °C; (20)Enthalpy of Vaporization: 97.893 kJ/mol; (21)Boiling Point: 629.546 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Production method of this chemical: The L-Histidine, L-alanyl- could be obtained by the reactant of N-Z-alanylhistidine benzyl ester. This reaction needs the reagent of H₂, the solvent of methanol acetic acid and the catalyst of Pd/C. The yield is 80 %. In addition, this reaction should be taken at the ambient temperature.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing, gloves and eye/face protection when you use it. Besides, the L-Histidine, L-alanyl- is highly flammable, keep it far away from the sources of ignition. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)[C@@H](NC(=O)[C@@H](N)C)Cc1cncn1
2.InChI: InChI=1/C9H14N4O3/c1-5(10)8(14)13-7(9(15)16)2-6-3-11-4-12-6/h3-5,7H,2,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)/t5-,7-/m0/s1
3.InChIKey: XZWXFWBHYRFLEF-FSPLSTOPBP
4.Std. InChI: InChI=1S/C9H14N4O3/c1-5(10)8(14)13-7(9(15)16)2-6-3-11-4-12-6/h3-5,7H,2,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)/t5-,7-/m0/s1
5.Std. InChIKey: XZWXFWBHYRFLEF-FSPLSTOPSA-N