4-(4-Chloro-2-methylphenoxy)butanohydrazide
Basic information
- CAS
545355-20-2- Standard SMILES
Cc1cc(Cl)ccc1OCCCC(=O)NN- InChIKey
SOMMQLJPDBEQBY-UHFFFAOYSA-N- Molecular formula
- C11H15ClN2O2
- Average molar mass
- 242.7 g/mol
- Monoisotopic mass
- 242.0822054
Names & identifiers
- Preferred name
- 4-(4-Chloro-2-methylphenoxy)butanohydrazide
- IUPAC
- 4-(4-chloro-2-methylphenoxy)butanehydrazide
- English name
- 4-(4-Chloro-2-methylphenoxy)butanohydrazide
- Molecular formula
- C11H15ClN2O2
- Molecular weight
- 242.7
Names & synonyms
4-(4-chloro-2-methylphenoxy)butanohydrazide545355-20-24-(4-chloro-2-methylphenoxy)butanehydrazideMFCD01365771MLS001007682CHEMBL1516789DTXSID101323834HMS2695I14ALBB-001036BBL036298SBB040059STK500242
Show more names
ST5213099AKOS B014949ZINC02379804AKOS BBS-00002890ART-CHEM-BB B0149494-(4-chloro-2-methyl-phenoxy)butyrohydrazide
AKOS000117855SMR000384761VS-13407CS-03078154-(4-chloro-2-methyl-phenoxy)butanehydrazideEN300-08046G19253Z58981860
Database identifiers
- CAS
545355-20-2- PubChem CID
- 3672669
- DTXSID
DTXSID101323834- ChEMBL
CHEMBL1516789
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 226
Experimental & physicochemical properties
Solubility22.5 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 454.9 · 454.9±35.0 °C(Predicted)
- Density
- 1.208 · 1.208±0.06 g/cm3(Predicted)
- pka
- 13.07 · 13.07±0.35(Predicted)
- Hazard Codes
- Xi
- 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_code
- Xi
- hazard_class
- IRRITANT
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Related reactions
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Compound notes
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