CAS No.16874-75-2,H-HIS-ALA-OH Suppliers

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Basic Information

Molecular Structure:
CAS No.:	16874-75-2
Name:	H-HIS-ALA-OH

Formula:	C₉H₁₄N₄O₃
Molecular Weight:	226.235
Synonyms:	Alanine,N-L-histidyl- (7CI);Alanine, N-L-histidyl-, L- (8CI);Alanine, N-histidyl-(6CI);L-Alanine, N-L-histidyl-;Histidylalanine;L-Histidinyl-L-alanine;L-Histidyl-L-alanine;NSC 522632;
Density:	1.372 g/cm³
Boiling Point:	655.2 °C at 760 mmHg
Flash Point:	350 °C
PSA:	121.10000
LogP:	-0.04000

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Specification

The L-Alanine, L-histidyl- is an organic compound with the formula C₉H₁₄N₄O₃. The IUPAC name of this chemical is 2-[[2-Amino-3-(1H-imidazol-5-yl)propanoyl]amino]propanoic acid. With the CAS registry number 16874-75-2, it is also named as Alanine, histidyl-. Besides, it should be stored at -15 °C.

Physical properties about L-Alanine, L-histidyl- are: (1)ACD/LogP: -1.74; (2)# of Rule of 5 Violations: 1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 7; (8)#H bond donors: 5; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 67.67 Å²; (11)Index of Refraction: 1.588; (12)Molar Refractivity: 55.49 cm³; (13)Molar Volume: 164.8 cm³; (14)Polarizability: 22×10^-24 cm³; (15)Surface Tension: 69.2 dyne/cm; (16)Density: 1.372 g/cm³; (17)Flash Point: 350 °C; (18)Enthalpy of Vaporization: 101.39 kJ/mol; (19)Boiling Point: 655.2 °C at 760 mmHg; (20)Vapour Pressure: 4.64E-18 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C9H14N4O3/c1-5(9(15)16)13-8(14)7(10)2-6-3-11-4-12-6/h3-5,7H,2,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)
(2)InChIKey: FRJIAZKQGSCKPQ-UHFFFAOYAE
(3)Std. InChI: InChI=1S/C9H14N4O3/c1-5(9(15)16)13-8(14)7(10)2-6-3-11-4-12-6/h3-5,7H,2,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)
(4)Std. InChIKey: FRJIAZKQGSCKPQ-UHFFFAOYSA-N