Basic information
- CAS
793-25-9- Standard SMILES
O=C(Cc1ccccc1)NNC(=O)Cc1ccccc1- InChIKey
KTANCLWFWIVXSU-UHFFFAOYSA-N- Molecular formula
- C16H16N2O2
- Average molar mass
- 268.31 g/mol
- Monoisotopic mass
- 268.12117776
Names & identifiers
- Preferred name
- 2-Phenyl-N'-(phenylacetyl)acetohydrazide
- IUPAC
- 2-phenyl-N'-(2-phenylacetyl)acetohydrazide
- English name
- 2-phenyl-N'-(phenylacetyl)acetohydrazide
- Molecular formula
- C16H16N2O2
- Molecular weight
- 268.31
Names & synonyms
2-Phenyl-N'-(phenylacetyl)acetohydrazide2-phenyl-N'-(2-phenylacetyl)acetohydrazide793-25-9MLS000711330Phenyl-acetic acid N'-phenylacetyl-hydrazideSMR000281097Benzeneacetic acid, 2-(2-phenylacetyl)hydrazide1,2-Bis(phenylacetyl)hydrazinediPhAcOH hydrNSC42953Opera_ID_1632CBDivE_002245
Show more names
SCHEMBL7107935CHEMBL1325140KTANCLWFWIVXSU-UHFFFAOYSA-NDTXSID501000383HMS2640O20NSC-42953STK107977AKOS000583943
Database identifiers
- CAS
793-25-9- PubChem CID
- 238532
- DTXSID
DTXSID501000383- ChEMBL
CHEMBL1325140- Nikkaji
- J1.113.425D
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 286
Physicochemical properties
- Melting point
- 236 · 236-237 °C
- Boiling point
- 542.3 · 542.3±39.0 °C(Predicted)
- Density
- 1.177 · 1.177±0.06 g/cm3(Predicted)
- pka
- 11.08 · 11.08±0.41(Predicted)
- InChI
- 1S/C16H16N2O2/c19-15(11-13-7-3-1-4-8-13)17-18-16(20)12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,17,19)(H,18,20)
- InChIKey
- KTANCLWFWIVXSU-UHFFFAOYSA-N
- SMILES
- O=C(NNC(CC1=CC=CC=C1)=O)CC2=CC=CC=C2
- UNSPSC Code
- 12352125 · 12352125
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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