Basic information
- CAS
13012-71-0- Standard SMILES
O=C(NNCCCc1ccccc1)c1ccncc1- InChIKey
AOEACXXCOFFKKF-UHFFFAOYSA-N- Molecular formula
- C15H17N3O
- Average molar mass
- 255.31 g/mol
- Monoisotopic mass
- 255.13716217
Names & identifiers
- Preferred name
- Isonicotinic acid, 2-(3-phenylpropyl)hydrazide
- IUPAC
- N'-(3-phenylpropyl)pyridine-4-carbohydrazide
- English name
- N'-(3-Phenylpropyl)-4-pyridinecarbohydrazide
- Molecular formula
- C15H17N3O
- Molecular weight
- 255.32
Names & synonyms
13012-71-0P 1108ISONICOTINIC ACID, 2-(3-PHENYLPROPYL)HYDRAZIDEBRN 02208341-Isonicotinoyl-2-(3-phenylpropyl)hydrazineHydrazine, 1-isonicotinoyl-2-(3-phenylpropyl)-DTXSID401563534-22-00-00559 (Beilstein Handbook Reference)RefChem:349691DTXCID3078844N'-(3-phenylpropyl)pyridine-4-carbohydrazideN/'-(3-Phenylpropyl)-4-pyridinecarbohydrazide
Show more names
N'-(3-Phenylpropyl)isonicotinic hydrazide4-Pyridinecarboxylic acid, 2-(3-phenylpropyl)hydrazide
SCHEMBL2994694N'-(3-Phenylpropyl)-4-pyridinecarbohydrazide
Database identifiers
- CAS
13012-71-0- PubChem CID
- 25596
- DTXSID
DTXSID40156353- Nikkaji
- J36.948I
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 258
Physicochemical properties
- Melting point
- 118 · 118-119 °C
- Boiling point
- 398.9 · 398.9±34.0 °C(Predicted)
- Density
- 1.132 · 1.132±0.06 g/cm3(Predicted)
- pka
- 11.3 · 11.30±0.23(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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