2-(4-Isobutylphenyl)propanohydrazide
Basic information
- CAS
127222-69-9- Standard SMILES
CC(C)Cc1ccc(C(C)C(=O)NN)cc1- InChIKey
JVDPFQDYGHWBBX-UHFFFAOYSA-N- Molecular formula
- C13H20N2O
- Average molar mass
- 220.31 g/mol
- Monoisotopic mass
- 220.15756327
Names & identifiers
- Preferred name
- 2-(4-Isobutylphenyl)propanohydrazide
- IUPAC
- 2-[4-(2-methylpropyl)phenyl]propanehydrazide
- English name
- 2-(4-Isobutylphenyl)propanohydrazide
- Molecular formula
- C13H20N2O
- Molecular weight
- 220.31
Names & synonyms
127222-69-92-(4-ISOBUTYLPHENYL)PROPANOHYDRAZIDEDTXSID00371520RefChem:252441DTXCID203225542-[4-(2-methylpropyl)phenyl]propanehydrazide2-(4-Isobutylphenyl)Propanehydrazidebenzeneacetic acid, alpha-methyl-4-(2-methylpropyl)-, hydrazideMFCD00711879alpha-Methyl-4-(2-methylpropyl)benzeneacetic acid hydrazide2-[4-(2-methylpropyl)phenyl]propanohydrazideMaybridge1_008266
Show more names
2-[4-(ISOBUTYL)PHENYL]PROPIONYL HYDRAZIDE2-(4-Isobutylphenyl)propanohydrazide, 95+%α-Methyl-4-(2-methylpropyl)benzeneacetic acid hydrazideBenzeneacetic acid, α-methyl-4-(2-methylpropyl)-, hydrazide
Cambridge id 5108447Oprea1_372363CBDivE_002321SCHEMBL577665CHEMBL2012321HMS564P16ALBB-024397SBB096015
Database identifiers
- CAS
127222-69-9- PubChem CID
- 2736674
- DTXSID
DTXSID00371520- ChEMBL
CHEMBL2012321- Nikkaji
- J777.094D
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 220
Physicochemical properties
- Melting point
- 76 °C · 76 °C
- Boiling point
- 395.8 · 395.8±21.0 °C(Predicted)
- Density
- 1.023 · 1.023±0.06 g/cm3(Predicted)
- pka
- 13.01 · 13.01±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H319
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2928009090 · 2928009090
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
- hs_code
- 2928009090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H317-H319
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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