Basic information
- CAS
415711-83-0- Standard SMILES
Cc1cc(Cl)ccc1NCC(=O)NN- InChIKey
FXVPJYIAMLEGDC-UHFFFAOYSA-N- Molecular formula
- C9H12ClN3O
- Average molar mass
- 213.66 g/mol
- Monoisotopic mass
- 213.0668897
Names & identifiers
- Preferred name
- 2-[(4-Chloro-2-methylphenyl)amino]acetohydrazide
- IUPAC
- 2-(4-chloro-2-methylanilino)acetohydrazide
- English name
- CHEMBRDG-BB 5347228
- Molecular formula
- C9H12ClN3O
- Molecular weight
- 213.66
Names & synonyms
2-[(4-chloro-2-methylphenyl)amino]acetohydrazide415711-83-02-(4-chloro-2-methylanilino)acetohydrazideMFCD00776572CHEMBRDG-BB 5347228CBMicro_018398Cambridge id 5347228Oprea1_100495Oprea1_811143DTXSID40354695ALBB-016516CCG-6881
Show more names
ZINC00271619Glycine, N-(4-chloro-2-methylphenyl)-, hydrazide2-[(4-chloro-2-methyl-phenyl)amino]ethanehydrazide
AKOS006339860LS-05146BIM-0018539.P0012-(4-chloro-2-methyl-anilino)acetohydrazideH31564AB00081888-01SR-01000206069SR-01000206069-1
Database identifiers
- CAS
415711-83-0- PubChem CID
- 779178
- DTXSID
DTXSID40354695
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 200
Physicochemical properties
- Boiling point
- 490.4 · 490.4±35.0 °C(Predicted)
- Density
- 1.308 · 1.308±0.06 g/cm3(Predicted)
- pka
- 12.77 · 12.77±0.37(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
Chemistry & industry
Suppliers5 total
COMBI-BLOCKS[email protected]
常州欣特科化工有限公司-
CHEMBRDG-BB[email protected]
MATRIX[email protected]
Carbosynth[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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