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Kynuramine

CAT: 0013-GTR19194092-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19194092-01Size:25 mg
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Description
Kynuramine is an aniline-based aromatic ketone. It serves as a key metabolite in the kynurenine pathway and is utilized in neuroscience and immunology research, particularly in studies investigating neurotoxicity and inflammatory responses in both in vitro and in vivo models.
CAS Number
363-36-0
Field of Research
Neuroscience
Smiles
O=C (C=1C=CC=CC1N) CCN
Molecular Formula
C9H12N2O
Molecular Weight
164.20
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Kynuramine

Kynuramine is a member of the class of kynurenamines that is aniline substituted at position 2 by a 3-aminopropanoyl group. It has a role as a metabolite. It is a member of kynurenamines and a primary amino compound. It is a conjugate base of a kynuramine(1+).

CAS Number363-36-0
PubChem CID9692
IUPAC Name3-amino-1-(2-aminophenyl)propan-1-one
Molecular FormulaC9H12N2O
Molecular Weight164.20
XLogP0.6
Topological Polar Surface Area69.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity159
SMILES
C1=CC=C(C(=C1)C(=O)CCN)N
InChI
InChI=1S/C9H12N2O/c10-6-5-9(12)7-3-1-2-4-8(7)11/h1-4H,5-6,10-11H2
InChIKey
QLPVTIQQFGWSQQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Kynuramine
CAS: 363-36-0
CID: 9692
Formula: C9H12N2O
MW: 164.20
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight164.20
XLogP30.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass164.094963011
Monoisotopic Mass164.094963011
Topological Polar Surface Area69.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity159
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