2-Oxohistidine HCl

CAT: 1596-AR-H07609-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-H07609-01Size:10 Units

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

116866-07-0

Synonyms

2-amino-3- (2-oxo-2,3-dihydro-1H-imidazol-4-yl) propanoic acid, hydrochloride (1:1)

Molecular Formula

C6H9N3O3. HCl

Molecular Weight

171.16 36.46

API Name

Histidine

Chemical Information

2-Oxohistidine HCl

CAS Number	116866-07-0
PubChem CID	169432955
IUPAC Name	2-amino-3-(2-oxo-1,3-dihydroimidazol-4-yl)propanoic acid;hydrochloride
Molecular Formula	C6H10ClN3O3
Molecular Weight	207.61
Topological Polar Surface Area	104
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	248

SMILES

C1=C(NC(=O)N1)CC(C(=O)O)N.Cl

InChI

InChI=1S/C6H9N3O3.ClH/c7-4(5(10)11)1-3-2-8-6(12)9-3;/h2,4H,1,7H2,(H,10,11)(H2,8,9,12);1H

InChIKey

BXPMSSQEJKZKHJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 116866-07-0

CID: 169432955

Formula: C6H10ClN3O3

MW: 207.61

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	207.61
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	207.0410689
Monoisotopic Mass	207.0410689
Topological Polar Surface Area	104 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	248
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
AR-H01136-01	2-Oxohistidine
AR-C08688-01	2-Cyclopropylethylamine HCl
AR-T05465-01	2-Tolperisone HCl
AR-N08282-01	2-Naphthylhydrazine HCl
AR-T02548-01	Tolperisone Impurity 2 HCl (Carboxy Tolperisone HCl)
AR-D02354-01	Doxepin Impurity 2 HCl
AR-D07676-01	Doxepin Impurity 2 HCl
AR-D06398-01	Dapoxetine Impurity 2 HCl
AR-C08580-01	Cyclobutrifluram Impurity 2 HCl
AR-V06505-01	Venlafaxine Impurity 2 HCl

Catalog	Name
RG-E140419-01	2-Oxohistidine
MBS7263039-01	Monkey 2-Oxohistidine ELISA Kit
MBS7255431-01	Rat 2-Oxohistidine ELISA Kit
MBS7261161-01	Porcine 2-Oxohistidine ELISA Kit
MBS7256267-01	Mouse 2-Oxohistidine ELISA Kit
MBS7262110-01	Canine 2-Oxohistidine ELISA Kit
MBS7265403-01	Chicken 2-Oxohistidine ELISA Kit
MBS7263969-01	Bovine 2-Oxohistidine ELISA Kit
MBS7259618-01	Goat 2-Oxohistidine ELISA Kit
MBS7266368-01	Sheep 2-Oxohistidine ELISA Kit