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N-Acetylhistamine 50mg

CAT: 0628-A19942-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A19942-50Size:50 mg
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CAS Number
673-49-4

Chemical Information

Acetylhistamine

N-acetylhistamine is a member of the class of acetamides that is acetamide comprising histamine having an acetyl group attached to the side-chain amino function. It has a role as a human metabolite. It is a member of acetamides and a member of imidazoles. It is functionally related to a histamine.

CAS Number673-49-4
PubChem CID69602
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]acetamide
Molecular FormulaC7H11N3O
Molecular Weight153.18
XLogP-0.4
Topological Polar Surface Area57.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count11
Formal Charge0
Complexity138
SMILES
CC(=O)NCCC1=CN=CN1
InChI
InChI=1S/C7H11N3O/c1-6(11)9-3-2-7-4-8-5-10-7/h4-5H,2-3H2,1H3,(H,8,10)(H,9,11)
InChIKey
XJWPISBUKWZALE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Acetylhistamine
CAS: 673-49-4
CID: 69602
Formula: C7H11N3O
MW: 153.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight153.18
XLogP3-0.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass153.090211983
Monoisotopic Mass153.090211983
Topological Polar Surface Area57.8 Ų
Heavy Atom Count11
Formal Charge0
Complexity138
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
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