(E)-N'-(2-chloropyrimidin-4-yl)-N,N-dimethylformohydrazonamide
Completing data — refresh the page later to see the latest
Basic information
- CAS
1306753-71-8- Standard SMILES
CN(C)C=NNc1ccnc(Cl)n1- InChIKey
MZXKESQOAAYSSF-UHFFFAOYSA-N- Molecular formula
- C7H10ClN5
- Average molar mass
- 199.64 g/mol
- Monoisotopic mass
- 199.062473
Names & identifiers
- Preferred name
- (E)-N'-(2-chloropyrimidin-4-yl)-N,N-dimethylformohydrazonamide
- IUPAC
- N'-[(2-chloropyrimidin-4-yl)amino]-N,N-dimethylmethanimidamide
- English name
- N'-(2-Chloropyrimidin-4-yl)-N,N-dimethylhydrazonoformamide
- Molecular formula
- C7H10ClN5
- Molecular weight
- 199.64
Names & synonyms
C7H10ClN5(E)-N'-(2-chloropyrimidin-4-yl)-N,N-dimethylformohydrazonamideN'-[(2-chloropyrimidin-4-yl)amino]-N,N-dimethyl-formamidineN'-(2-Chloropyrimidin-4-yl)-N,N-dimethylhydrazonoformamideMethanehydrazonoamide, N'-(2-chloro-4-pyrimidinyl)-N,N-dimethyl-
Database identifiers
- CAS
1306753-71-8- PubChem CID
- 76409705
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- Boiling point
- 342.6 · 342.600±34.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.297 · 1.297±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 19.751 · 19.751±0.10(predicted)
- HazardClass
- IRRITANT
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
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…