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Poly-L-histidine

Catalog Number
ACM26062486
CAS Number
26062-48-6
Product Name
Poly-L-histidine
Structure
Category
Polyamino Acids
Description
Solid;White crystals or crystalline powder; odourless
IUPAC Name
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid
Molecular Weight
155.15g/mol
Molecular Formula
C6H9N3O2;C6H9N3O2
Canonical SMILES
C1=C(NC=N1)CC(C(=O)O)N
InChI
InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1
InChI Key
HNDVDQJCIGZPNO-YFKPBYRVSA-N
Melting Point
287 °C (decomp);287°C
Solubility
0.29 M;Insol in common neutral solvents except water;Insoluble in ethyl ether, acetone; slightly soluble in ethanol;In water, 4.56X10+4 mg/l @ 25 °C;45.6 mg/mL;Soluble in water; Insoluble in ether;Slightly soluble (in ethanol)
Color/Form
Needles or plates;COLORLESS
Complexity
151
Covalently-Bonded Unit Count
1
EC Number
200-745-3
Exact Mass
155.069477g/mol
Formal Charge
0
Heavy Atom Count
11
Log P
-3.32 (LogP);log Kow= -3.32;-3.32
MeSH Entry Terms
Histidine;Histidine, L isomer;Histidine, L-isomer;L-Histidine;L-isomer Histidine
Monoisotopic Mass
155.069477g/mol
Other Experimental
Softens @ 277 °C;Fairly sol in water; insol in alcohol and ether; decomp 251-252 °C; specific optical rotation (c= 2 in 3 moles of HCl): +8.0 deg at 26 °C/D /Monohydrochloride/;MP: 80 °C; anhydrous, mp: 140 °C /monohydrate/;SOL IN WATER; DECOMP AT 245 °C (ALSO REPORTED AS 196 °C); SPECIFIC OPTICAL ROTATION (C= 2) +47.6 DEG AT 20 °C/D /L-HISTIDINE DIHYDROCHLORIDE/;Rhombic crystals (also forms a monohydrate) /L-histidine monohydrochloride/; rhombic crystals, isomorphous with the mono-HCl /L-histidine dihydrochloride/;MASS: 111 (Aldermaston, Eight Peak Index of Mass Spectra, UK) /d-Histidine/;UV: 11479 (Sadtler Research Laboratories Spectral Collection) /dl-Histidine/;MASS: 111 (Aldermaston, Eight Peak Index of Mass Spectra, UK) /dl-Histidine/
Rotatable Bond Count
3
UNII
4QD397987E
XLogP3
-3.2
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