CAS No.21438-60-8,H-HIS-SER-OH Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	21438-60-8
Name:	H-HIS-SER-OH

Formula:	C₉H₁₄N₄O₄
Molecular Weight:	242.235
Synonyms:	L-Serine,N-L-histidyl-;Serine, N-L-histidyl- (6CI);Serine, N-L-histidyl-, L-(7CI,8CI);Histidylserine;L-Histidyl-L-serine;NSC 374900;2-(2-Amino-3-imidazol-5-ylpropanoylamino)-3-hydroxypropanoic acid;
Density:	1.492 g/cm³
Melting Point:	138-141℃
Boiling Point:	737.6 °C at 760 mmHg
Flash Point:	399.9 °C
PSA:	141.33000
LogP:	-1.06760

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Specification

The L-Serine, L-histidyl-, with the CAS registry number 21438-60-8, is also known as 2-(2-Amino-3-imidazol-5-ylpropanoylamino)-3-hydroxypropanoic acid. It belongs to the product categories of Dipeptides; Dipeptides and Tripeptides; Peptides. This chemical's molecular formula is C₉H₁₄N₄O₄ and molecular weight is 242.23. What's more, its systematic name is histidylserine.

Physical properties of L-Serine, L-histidyl- are: (1)ACD/LogP: -2.57; (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: 8; (8)#H bond donors: 6; (9)#Freely Rotating Bonds: 8; (10)Polar Surface Area: 76.9 Å²; (11)Index of Refraction: 1.62; (12)Molar Refractivity: 57.03 cm³; (13)Molar Volume: 162.3 cm³; (14)Polarizability: 22.61×10^-24cm³; (15)Surface Tension: 84.4 dyne/cm; (16)Density: 1.492 g/cm³; (17)Flash Point: 399.9 °C; (18)Enthalpy of Vaporization: 112.93 kJ/mol; (19)Boiling Point: 737.6 °C at 760 mmHg; (20)Vapour Pressure: 7.69E-23 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(NC(=O)C(N)Cc1cncn1)CO
(2)InChI: InChI=1S/C9H14N4O4/c10-6(1-5-2-11-4-12-5)8(15)13-7(3-14)9(16)17/h2,4,6-7,14H,1,3,10H2,(H,11,12)(H,13,15)(H,16,17)
(3)InChIKey: KRBMQYPTDYSENE-UHFFFAOYSA-N