N'-hydroxy-2-(1-methyl-1H-1,3-benzodiazol-2-yl)ethanimidamide
Basic information
- CAS
852388-71-7- Standard SMILES
Cn1c(C/C(N)=N/O)nc2ccccc21- InChIKey
TWKGFTUFKKKXCJ-UHFFFAOYSA-N- Molecular formula
- C10H12N4O
- Average molar mass
- 204.23 g/mol
- Monoisotopic mass
- 204.10111102
Names & identifiers
- Preferred name
- N'-hydroxy-2-(1-methyl-1H-1,3-benzodiazol-2-yl)ethanimidamide
- IUPAC
- N'-hydroxy-2-(1-methylbenzimidazol-2-yl)ethanimidamide
- English name
- 1H-Benzimidazole-2-ethanimidamide, N-hydroxy-1-methyl-
- Molecular formula
- C10H12N4O
- Molecular weight
- 204.23
Names & synonyms
852388-71-7N'-hydroxy-2-(1-methyl-1H-1,3-benzodiazol-2-yl)ethanimidamide(1Z)-N'-hydroxy-2-(1-methyl-1H-benzimidazol-2-yl)ethanimidamide1H-benzimidazole-2-ethanimidamide, N'-hydroxy-1-methyl-(Z)-N'-hydroxy-2-(1-methyl-1H-1,3-benzodiazol-2-yl)ethanimidamide(Z)-N'-hydroxy-2-(1-methyl-1H-benzo[d]imidazol-2-yl)acetimidamideN'-hydroxy-2-(1-methylbenzimidazol-2-yl)ethanimidamideDTXSID501217683HMS1748J03ALBB-035252BBL030576AKOS005135656
Show more names
1H-Benzimidazole-2-ethanimidamide, N-hydroxy-1-methyl-
VS-09904EN300-12601H48282SR-01000065815SR-01000065815-1N-Hydroxy-1-methyl-1H-benzimidazole-2-ethanimidamideN-Hydroxy(1-methyl-1H-benzimidazol-2-yl)ethanimidamideN'-HYDROXY-2-(1-METHYL-1H-BENZIMIDAZOL-2-YL)ETHANIMIDAMIDE
Database identifiers
- CAS
852388-71-7- PubChem CID
- 9687045
- DTXSID
DTXSID501217683
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 76.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 256
Physicochemical properties
- Boiling point
- 415.2 · 415.2±47.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- form
- powder
- pka
- 13.75 · 13.75±0.50(Predicted)
- InChI
- 1S/C10H12N4O/c1-14-8-5-3-2-4-7(8)12-10(14)6-9(11)13-15/h2-5,9H,6,11H2,1H3
- InChIKey
- IZHVGRDMYNSPGY-UHFFFAOYSA-N
- SMILES
- N/C(CC1=NC2=CC=CC=C2N1C)=N\O
- UNSPSC Code
- 12352111 · 12352111
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- Storage Class
- 11 - Combustible Solids
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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