3-Anilinopropanohydrazide
Basic information
- CAS
4916-20-5- Standard SMILES
NNC(=O)CCNc1ccccc1- InChIKey
QOZMRVJLWMWVJR-UHFFFAOYSA-N- Molecular formula
- C9H13N3O
- Average molar mass
- 179.22 g/mol
- Monoisotopic mass
- 179.10586205
Names & identifiers
- Preferred name
- 3-Anilinopropanohydrazide
- IUPAC
- 3-anilinopropanehydrazide
- English name
- CHEMBRDG-BB 4023493
- Molecular formula
- C9H13N3O
- Molecular weight
- 179.22
Names & synonyms
3-Anilinopropanohydrazide4916-20-53-anilinopropanehydrazide3-(PHENYLAMINO)PROPANEHYDRAZIDEMFCD00559632SCHEMBL1627561DTXSID40563604AKOS005188808BS-38063DB-183305CS-0365715F061238
Show more names
CHEMBRDG-BB 4023493β-Alanine, N-phenyl-, hydrazide3-anilinopropanohydrazide(SALTDATA: FREE)
Database identifiers
- CAS
4916-20-5- PubChem CID
- 14747484
- DTXSID
DTXSID40563604- Nikkaji
- J2.669.633J
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 155
Physicochemical properties
- Melting point
- 95 · 95-96 °C
- Boiling point
- 443.3 · 443.3±28.0 °C(Predicted)
- Density
- 1.182 · 1.182±0.06 g/cm3(Predicted)
- pka
- 12.83 · 12.83±0.35(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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