N-(4-(4-methylpiperazin-1-yl)phenyl)acetamide
Basic information
- CAS
17761-86-3- Standard SMILES
CC(=O)Nc1ccc(N2CCN(C)CC2)cc1- InChIKey
QAEVFGOUSCYAPU-UHFFFAOYSA-N- Molecular formula
- C13H19N3O
- Average molar mass
- 233.31 g/mol
- Monoisotopic mass
- 233.15281224
Names & identifiers
- Preferred name
- N-(4-(4-methylpiperazin-1-yl)phenyl)acetamide
- IUPAC
- N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
- English name
- N-[4-(4-Methylpiperazino)phenyl]acetamide
- Molecular formula
- C13H19N3O
- Molecular weight
- 233.31
Names & synonyms
N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide17761-86-3N-(4-(4-methylpiperazin-1-yl)phenyl)acetamideRefChem:826941893-452-0N-[4-(4-methylpiperazino)phenyl]acetamideMFCD00172715Oprea1_561141SCHEMBL13912AKOS00321094411G-301SCS-0257409
Show more names
4-(N-Methylpiperazino)phenylacetamideAcetamide, N-[4-(4-methyl-1-piperazinyl)phenyl]-
H82289EN300-6722250N-[4-(4-Methyl-1-piperazinyl)phenyl]acetamideZ52051587O1A
Database identifiers
- CAS
17761-86-3- PubChem CID
- 925704
- EC Number
- 893-452-0
- Nikkaji
- J1.807.114B
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 35.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 253
Physicochemical properties
- Melting point
- 178 · 178-180 °C
- Boiling point
- 438.617 · 438.617±40.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.133 · 1.133±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 14.888 · 14.888±0.70(predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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