343-65-7
Product Name:
DL-KYNURENINE
Formula:
C10H12N2O3
Synonyms:
2-Amino-3-(2-aminobenzoyl)propionic acid;2-Amino-4-(2-aminophenyl)-4-oxobutyric acid
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 151.07 Ų [M+H]+ [CCS Type: DT, Method: stepped-field] |
|---|
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 208.21 g/mol |
|---|---|
| XLogP3 | -2.2 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 208.08479225 g/mol |
| Monoisotopic Mass | 208.08479225 g/mol |
| Topological Polar Surface Area | 106 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 255 |
| 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 | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Kynurenine is a ketone that is alanine in which one of the methyl hydrogens is substituted by a 2-aminobenzoyl group. It has a role as a human metabolite. It is a substituted aniline, an aromatic ketone and a non-proteinogenic alpha-amino acid. It is a conjugate acid of a kynureninate.