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Histamine

CAT: 1489-H8240-03Size: 5 gDry Ice: NoHazardous: No
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CAT#:1489-H8240-03Size:5 g
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CAS Number
51-45-6
Purity
0.98

Chemical Information

Histamine

Histamine is a member of the class of imidazoles that is 1H-imidazole substituted at position C-4 by a 2-aminoethyl group. It has a role as a neurotransmitter, a mouse metabolite and a human metabolite. It is a member of imidazoles and an aralkylamino compound. It is a conjugate base of a histaminium.

CAS Number51-45-6
PubChem CID774
IUPAC Name2-(1H-imidazol-5-yl)ethanamine
Molecular FormulaC5H9N3
Molecular Weight111.15
XLogP-0.7
Topological Polar Surface Area54.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count8
Formal Charge0
Complexity64
SMILES
C1=C(NC=N1)CCN
InChI
InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
InChIKey
NTYJJOPFIAHURM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Histamine
CAS: 51-45-6
CID: 774
Formula: C5H9N3
MW: 111.15
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight111.15
XLogP3-0.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass111.079647300
Monoisotopic Mass111.079647300
Topological Polar Surface Area54.7 Ų
Heavy Atom Count8
Formal Charge0
Complexity64.7
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
H0020-01L-Histidine
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Alternative Products

CatalogName
44043000-2Histamine

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