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Histidine dihydrochloride

CAS No.:
15474-90-5
Catalog Number:
AG00ACRY
Molecular Formula:
C6H11Cl2N3O2
Molecular Weight:
228.0764
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Product Description
Catalog Number:
AG00ACRY
Chemical Name:
Histidine dihydrochloride
CAS Number:
15474-90-5
Molecular Formula:
C6H11Cl2N3O2
Molecular Weight:
228.0764
MDL Number:
MFCD00035203
IUPAC Name:
2-amino-3-(1H-imidazol-5-yl)propanoic acid;dihydrochloride
InChI:
InChI=1S/C6H9N3O2.2ClH/c7-5(6(10)11)1-4-2-8-3-9-4;;/h2-3,5H,1,7H2,(H,8,9)(H,10,11);2*1H
InChI Key:
XEJCDBUNISUVGZ-UHFFFAOYSA-N
SMILES:
NC(C(=O)O)Cc1nc[nH]c1.Cl.Cl
Properties
Complexity:
151  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.023g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
228.073g/mol
Monoisotopic Mass:
227.023g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
92A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties