N-isobutyl-2-piperazin-1-ylacetamide
Basic information
- CAS
89433-47-6- Standard SMILES
CC(C)CNC(=O)CN1CCNCC1- InChIKey
KZOJMUSNCXUPRF-UHFFFAOYSA-N- Molecular formula
- C10H21N3O
- Average molar mass
- 199.29 g/mol
- Monoisotopic mass
- 199.1684623
Names & identifiers
- Preferred name
- N-isobutyl-2-piperazin-1-ylacetamide
- IUPAC
- N-(2-methylpropyl)-2-piperazin-1-ylacetamide
- English name
- N-Isobutyl-2-piperazin-1-ylacetamide
- Molecular formula
- C10H21N3O
- Molecular weight
- 199.29
Names & synonyms
N-isobutyl-2-piperazin-1-ylacetamide89433-47-6N-(2-methylpropyl)-2-(piperazin-1-yl)acetamideN-Isobutyl-2-(piperazin-1-yl)acetamideMFCD07841688N-(2-methylpropyl)-2-piperazin-1-ylacetamide1-Piperazineacetamide, N-(2-methylpropyl)-SCHEMBL6692168DTXSID60429273ALBB-006987BBL012501STK501461
Show more names
N-isobutyl-2-piperazin-1-ylacetamide(SALTDATA: FREE)
AKOS000264326N-isobutyl-2-piperazin-1-yl-acetamideLS-02523EN300-23644G22340F307961Z164670586Z166630890
Database identifiers
- CAS
89433-47-6- PubChem CID
- 8902198
- DTXSID
DTXSID60429273
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 44.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 176
Physicochemical properties
- Boiling point
- 363.5 · 363.5±27.0 °C(Predicted)
- Density
- 0.979 · 0.979±0.06 g/cm3(Predicted)
- pka
- 16.12 · 16.12±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36
- Safety Statements
- 26 · 26
- HazardClass
- IRRITANT
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
- risk_code
- 36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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