Metabolite Aminoacetonitrile
- Name
- Aminoacetonitrile
- Description
- Not Available
- Structure
Structure for Aminoacetonitrile
- Synonyms
- Not Available
- UNII
- 3739OQ10IJ
- CAS number
- 540-61-4
- Weight
- Average: 56.068
Monoisotopic: 56.037448137 - Chemical Formula
- C2H4N2
- InChI Key
- DFNYGALUNNFWKJ-UHFFFAOYSA-N
- InChI
- InChI=1S/C2H4N2/c3-1-2-4/h1,3H2
- IUPAC Name
- 2-aminoacetonitrile
- SMILES
- NCC#N
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- Human Metabolome Database
- HMDB0248309
- ChemSpider
- 10439
- ChEMBL
- CHEMBL1193997
- ZINC
- ZINC000042989589
- Wikipedia
- Aminoacetonitrile
- Predicted Properties
Property Value Source logP -1.1 Chemaxon pKa (Strongest Basic) 5.39 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 49.81 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 14.98 m3·mol-1 Chemaxon Polarizability 5.56 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon