N,N-dimethyl-2-(piperazin-1-yl)acetamide

HCID 2758642CAS 39890-43-2

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Basic information

Standard SMILES: CN(C)C(=O)CN1CCNCC1
InChIKey: JJEMPZXXGBIJIX-UHFFFAOYSA-N
Molecular formula: C8H17N3O
Average molar mass: 171.24 g/mol
Monoisotopic mass: 171.13716216

Names & identifiers

Preferred name: N,N-dimethyl-2-(piperazin-1-yl)acetamide
IUPAC: N,N-dimethyl-2-piperazin-1-ylacetamide
English name: N,N-Dimethyl-2-piperazin-1-yl-acetamide
Molecular formula: C8H17N3O
Molecular weight: 171.24

Names & synonyms

N,N-dimethyl-2-(piperazin-1-yl)acetamideRefChem:822431673-693-639890-43-2N,N-dimethyl-2-piperazin-1-yl-acetamideN,N-dimethyl-2-piperazin-1-ylacetamide1-Piperazineacetamide, N,N-dimethyl-MFCD01075232N,N-dimethyl-2-(1-piperazinyl)acetamideN,N-Dimethyl-1-piperazineacetamideEN300-12361N,N-dimethyl-2-piperazinylacetamide

Show more names

Dimethyl-N,N-amideacetic acid piperazineN,N-Dimethyl-2-(piperazin-1-yl)acetamide-97%N,N-Dimethyl-2-piperazin-1-yl-acetamide ,93%1-Piperazineacetamide,N,N-dimethyl-(6CI,9CI)

N,N-DIMETHYLAMIDE CARBONYLMETHYL PIPERAZINEPiperazine acetic acid N,N-dimethylamideN,N-dimethyl-2-piperazine-1-yl-acetamideSCHEMBL5501SCHEMBL5863PIPERAZINO-ACETIC ACID-N,N-DIMETHYLAMIDE(N,N-DIMETHYLAMIDECARBONYLMETHYL)PIPERAZINESCHEMBL1819295

Database identifiers

CAS: 39890-43-2
PubChem CID: 2758642
DTXSID: DTXSID50374425
EC Number: 673-693-6

Properties

Computed structural properties

XLogP: -0.9
Topological polar surface area: 35.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 152

Physicochemical properties

Boiling point: 105 · 105-109°C 0,2mm
Density: 1.016 · 1.016±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
form: solid
pka: 8.98 · 8.98±0.10(Predicted)
color: Yellow
CAS DataBase Reference: 39890 · 39890-43-2(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H319
Precautionary statements: 305 · P305+P351+P338
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-36-22
Safety Statements: 26 · 26-36
HazardClass: IRRITANT
HS Code: 2933599590 · 2933599590

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.