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7006-35-1

7006-35-1 structural image
Product Name: L-Histidine Base
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid; [Merck Index] Powder; [Sigma-Aldrich MSDS]
Color/Form Needles or plates
Taste Sweet
Melting Point 287 dec °C
Solubility 45600 mg/L (at 25 °C)
Vapor Pressure 0.00000001 [mmHg]
LogP -3.32
LogS -0.53
Optical Rotation Specific optical rotation:(c=0.77 in 0.5N of NaOH): -10.9 °C at 20 °C/D; (c=0.75 to 3.77): -38.95 °C at 25 °C/D; (c=1.00-4.05 in 6.1N HCl): +13.34 °C at 25 °C/D
Ionization Efficiency Negative
Dissociation Constants 2.76 (at 0 °C)
Collision Cross Section 131.9 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]
Other Experimental Properties Softens @ 277 °C
Chemical Classes Biological Agents -> Amino Acids and Derivatives

COMPUTED DESCRIPTORS

Molecular Weight 155.15 g/mol
XLogP3 -3.2
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 3
Exact Mass 155.069476538 g/mol
Monoisotopic Mass 155.069476538 g/mol
Topological Polar Surface Area 92 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 151
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

L-histidine is the L-enantiomer of the amino acid histidine. It has a role as a nutraceutical, a micronutrient, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite, a human metabolite, an algal metabolite and a mouse metabolite. It is a proteinogenic amino acid, a histidine and a L-alpha-amino acid. It is a conjugate base of a L-histidinium(1+). It is a conjugate acid of a L-histidinate(1-). It is an enantiomer of a D-histidine. It is a tautomer of a L-histidine zwitterion.