2-(1H-pyrrol-1-yl)benzohydrazide
Basic information
- CAS
31739-63-6- Standard SMILES
NNC(=O)c1ccccc1-n1cccc1- InChIKey
ZPLLLYUFDQNKQE-UHFFFAOYSA-N- Molecular formula
- C11H11N3O
- Average molar mass
- 201.22 g/mol
- Monoisotopic mass
- 201.09021198
Names & identifiers
- Preferred name
- 2-(1H-pyrrol-1-yl)benzohydrazide
- IUPAC
- 2-pyrrol-1-ylbenzohydrazide
- English name
- 2-(1H-Pyrrol-1-yl)benzene-1-carbohydrazide
- Molecular formula
- C11H11N3O
- Molecular weight
- 201.22
Names & synonyms
2-(1H-pyrrol-1-yl)benzohydrazide31739-63-6DTXSID60352491RefChem:249966DTXCID303035562-pyrrol-1-ylbenzohydrazideBenzoicacid, 2-(1H-pyrrol-1-yl)-, hydrazideMFCD001189982-pyrrolylbenzenecarbohydrazide2-Pyrrol-1-yl-benzoic acid hydrazideCDS1_000497Maybridge1_002785
Show more names
AKOS B006710ART-CHEM-BB B0067102-(1-pyrrolyl)benzohydrazide2-(1H-Pyrrol-1-yl)benzene-1-carbohydrazideBenzoic acid, 2-(1H-pyrrol-1-yl)-, hydrazide2-(1H-pyrrol-1-yl)benzohydrazide(SALTDATA: FREE)
CBMicro_022366Cambridge id 5486382Oprea1_794587MLS001017711DivK1c_001537CHEMBL167260SCHEMBL1520747HMS549G13
Database identifiers
- CAS
31739-63-6- PubChem CID
- 727889
- DTXSID
DTXSID60352491- ChEMBL
CHEMBL167260
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 60.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 226
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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