Basic information
- CAS
6634-97-5- Standard SMILES
CN(C(=N)N)C(=O)C(=O)O- InChIKey
APCBAUVRJPCYFQ-UHFFFAOYSA-N- Molecular formula
- C4H7N3O3
- Average molar mass
- 145.12 g/mol
- Monoisotopic mass
- 145.04874109
Names & identifiers
- Preferred name
- Creatinone
- IUPAC
- 2-[carbamimidoyl(methyl)amino]-2-oxoacetic acid
Names & synonyms
creatinoneWLN: QVVN1&YZUMSCHEMBL17234254DTXSID10984963NSC44146AKOS006340297(N-Methylcarbamimidamido)(oxo)acetic acid[Carbamimidoyl(methyl)amino](oxo)acetic acid
Database identifiers
- CAS
6634-97-5- PubChem CID
- 239240
- DTXSID
DTXSID10984963- Nikkaji
- J42.578H
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 188
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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