1-Piperazineacetamide, N-phenyl-
Basic information
- CAS
40798-95-6- Standard SMILES
NC(=O)CN1CCN(c2ccccc2)CC1- InChIKey
HOAQKIGCRVMLLG-UHFFFAOYSA-N- Molecular formula
- C12H17N3O
- Average molar mass
- 219.28 g/mol
- Monoisotopic mass
- 219.13716217
Names & identifiers
- Preferred name
- 1-Piperazineacetamide, N-phenyl-
- IUPAC
- 2-(4-phenylpiperazin-1-yl)acetamide
- English name
- 2-(4-phenylpiperazin-1-yl)acetamide
- Molecular formula
- C12H17N3O
- Molecular weight
- 219.28
Names & synonyms
1-Piperazineacetamide, N-phenyl-alpha-PiperazinoacetanilideN-Phenyl-1-piperazineacetamideDTXSID60193780RefChem:233370DTXCID0011627140798-95-62-(4-phenylpiperazin-1-yl)acetamide197434-83-6F2189-01731-piperazineacetamide, 4-phenyl-NSC88425
Show more names
NCIOpen2_005198SCHEMBL4172008SCHEMBL4172010SCHEMBL274550132-(4-phenylpiperazinyl)acetamide(4-phenyl-1-piperazinyl)acetamideHMS5219G05SMSSF-0018022
Database identifiers
- CAS
40798-95-6- PubChem CID
- 218560
- DTXSID
DTXSID60193780- Nikkaji
- J1.128.840E
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 49.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 230
Physicochemical properties
- Melting point
- 159 · 159-159.5 °C
- Boiling point
- 428.7 · 428.7±30.0 °C(Predicted)
- Density
- 1.141 · 1.141±0.06 g/cm3(Predicted)
- pka
- 14.61 · 14.61±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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 statements
- H319-H335-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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