1-(Cyclohexylcarbonyl)piperazine

HCID 3437502CAS 27561-62-2

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Basic information

Standard SMILES: O=C(C1CCCCC1)N1CCNCC1
InChIKey: ZSZROXCAFYZNHE-UHFFFAOYSA-N
Molecular formula: C11H20N2O
Average molar mass: 196.29 g/mol
Monoisotopic mass: 196.15756326

Names & identifiers

Preferred name: 1-(Cyclohexylcarbonyl)piperazine
IUPAC: cyclohexyl(piperazin-1-yl)methanone
English name: 1-(Cyclohexylcarbonyl)piperazine
Molecular formula: C11H20N2O
Molecular weight: 196.29

Names & synonyms

27561-62-21-(Cyclohexylcarbonyl)piperazineDTXSID20392479RefChem:226405DTXCID20343340625-296-4cyclohexyl(piperazin-1-yl)methanone1-cyclohexanecarbonylpiperazineMethanone, cyclohexyl-1-piperazinyl-MFCD06798113SCHEMBL930742N-(Cyclohexylcarbonyl)piperazine

Show more names

Cyclohexyl-1-piperazinylmethanone1-(Cyclohexylcarbonyl)piperazine 97%1-(CYCLOHEXYLCARBONYL)PIPERAZINE 976,6'-Bis(trimethylsilyl)-2,2'-bipyridine1-(Cyclohexylcarbonyl)piperazine≥ 97%(GC)1-(Cyclohexylcarbonyl)piperazine, 97% white to brown solid

1-(Cyclohexylcarbonyl)piperazine, 97%DS-12938C3377CS-0124436EN300-56915Maybridge1_006754cyclohexyl-piperazin-1-yl-methanone1-(CYCLOHEXYLCARBONYL)PIPERAZINE97

Database identifiers

CAS: 27561-62-2
PubChem CID: 3437502
DTXSID: DTXSID20392479
EC Number: 625-296-4
Nikkaji: J2.027.960E

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 32.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 193

Physicochemical properties

Melting point: 84 · 84-89 °C (lit.)
Boiling point: 350.5 · 350.5±35.0 °C(Predicted)
Density: 1.047 · 1.047±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: soluble in Methanol
pka: 8.47 · 8.47±0.10(Predicted)
form: Solid
color: White to brown
InChI: InChI=1S/C11H20N2O/c14-11(10-4-2-1-3-5-10)13-8-6-12-7-9-13/h10,12H,1-9H2
InChIKey: ZSZROXCAFYZNHE-UHFFFAOYSA-N
SMILES: C(C1CCCCC1)(N1CCNCC1)=O
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 315 · H315-H318-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 37 · 37/38-41
Safety Statements: 26 · 26-36/37/39
WGK Germany: 3 · 3
HS Code: 2933599590 · 2933599590
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 1 Skin · Eye Dam. 1Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.