3-Phenylpropanehydrazide

HCID 249348CAS 3538-68-9

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Basic information

Standard SMILES: NNC(=O)CCc1ccccc1
InChIKey: LSSUJBFVEXWEEC-UHFFFAOYSA-N
Molecular formula: C9H12N2O
Average molar mass: 164.2 g/mol
Monoisotopic mass: 164.09496301

Names & identifiers

Preferred name: 3-Phenylpropanehydrazide
IUPAC: 3-phenylpropanehydrazide
English name: 3-Phenyl-propionic acid hydrazide
Molecular formula: C9H12N2O
Molecular weight: 164.2

Names & synonyms

3-phenylpropanehydrazide3538-68-93-Phenyl-propionic acid hydrazide3-phenylpropanohydrazideMFCD00157933Benzenepropanoic acid hydrazide3-Phenylpropionic acid hydrazideBenzenepropanoicacid, hydrazideNSC67600dihydrocinnamic hydrazideTimTec1_0009943-phenyl-propionic hydrazide

Show more names

AKOS B017808ASISCHEM D13401AKOS BBS-00001044CHEMBRDG-BB 3017808ART-CHEM-BB B017808TIMTEC-BB SBB0001513-phenylpropionohydrazide

NCIOpen2_000222Oprea1_209591SCHEMBL967387DTXSID50290237LSSUJBFVEXWEEC-UHFFFAOYSA-NHMS1536N04ALBB-001043BBL015565

Database identifiers

CAS: 3538-68-9
PubChem CID: 249348
DTXSID: DTXSID50290237
EC Number: 809-055-2
Nikkaji: J2.833.010C

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 55.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 141

Physicochemical properties

storage temp.: 2 · 2-8°C(protect from light)
Appearance: Light yellow to brown Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xi
HazardClass: IRRITANT

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_class: IRRITANT
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications · 1 item

Uses3-Phenyl-propionic Acid Hydrazide is a reactant used to prepare trisubstituted 1,2,4-triazoles as potent human ghrelin receptor (GHS-R1a) ligands. It is also used as an intermediate to synthesisze oxadiazole and triazole substituted naphthyridines as HIV-1 integrase inhibitors.