DL-Histidine
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DL-Histidine
structure -
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CAS No:
4998-57-6
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Formula:
C6H9N3O2
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Chemical Name:
DL-Histidine
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Synonyms:
Histidine;Histidine,DL-;DL-Histidine;(±)-Histidine;1H-Imidazole-4-alanine;2-Amino-3-(1H-imidazol-5-yl)propanoic acid;2-Amino-3-(5-imidazolyl)propanoic acid;2-Amino-3-(1H-imidazol-4-yl)propanoic acid;184709-11-3
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CAS No:
Description
white to slightly yellow crystalline powder
Histidine is an alpha-amino acid that is propanoic acid bearing an amino substituent at position 2 and a 1H-imidazol-4-yl group at position 3. It has a role as a metabolite. It is an alpha-amino acid, a member of imidazoles, an aromatic amino acid and a polar amino acid. It contains a 1H-imidazol-4-ylmethyl group. It is a conjugate base of a histidinium(1+). It is a conjugate acid of a histidinate(1-).
Characteristics
92
-3.2
white crystals
1.4±0.1 g/cm3
828 °C
458.9°C at 760 mmHg
231.3±25.9 °C
1.615
0.5 M HCl: soluble
Store at RT.
Safety Information
NONH for all modes of transport
3
22-36/37/38
22-24/25-36/37-26
Xn
Stable under normal temperatures and pressures.
DL-Histidine Use and Manufacturing
Using L-histidine hydrochloride as raw material, adding acetic anhydride under alkaline conditions for acylation reaction, extracting with ethanol and precipitating with excess acetone to obtain acetyl-DL-histidine; Reflux for several hours, ethanol precipitation to obtain crude DL-histidine, and then crystallization purification to obtain pure product.
Used for biochemical research.
Histidine: ACTIVE
Computed Properties
Molecular Weight:155.15
XLogP3:-3.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:155.069476538
Monoisotopic Mass:155.069476538
Topological Polar Surface Area:92
Heavy Atom Count:11
Complexity:151
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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