Basic information
- CAS
170735-25-8- Standard SMILES
Cc1ccc(C(=N)N)cc1Cl- InChIKey
JTQBLCCOULSWKX-UHFFFAOYSA-N- Molecular formula
- C8H9ClN2
- Average molar mass
- 168.62 g/mol
- Monoisotopic mass
- 168.045426
Names & identifiers
- Preferred name
- 3-Chloro-4-methylbenzenecarboximidamide
- IUPAC
- 3-chloro-4-methylbenzenecarboximidamide
- English name
- 3-CHLORO-4-METHYL-BENZAMIDINE
- Molecular formula
- C8H9ClN2
- Molecular weight
- 168.62
Names & synonyms
170735-25-83-chloro-4-methylbenzenecarboximidamide3-CHLORO-4-METHYL-BENZAMIDINE3-chloro-4-methylbenzene-1-carboximidamide3-chloro-4-methylbenzene-1-carboximidamide hydrochloride3-Chloro-4-methylbenzamidineSCHEMBL8307718DTXSID40369648AKOS006293948EN300-19842483-Chloro-4-MethylbenziMidaMideBenzenecarboximidamide, 3-chloro-4-methyl-
Database identifiers
- CAS
170735-25-8- PubChem CID
- 2730438
- DTXSID
DTXSID40369648
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 49.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 158
Physicochemical properties
- Boiling point
- 267.4 · 267.4±50.0 °C(Predicted)
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- pka
- 11.46 · 11.46±0.50(Predicted)
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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