1-(Cyclohexylmethyl)piperazine

HCID 2735885CAS 57184-23-3

Substructure search Find similar structures

Basic information

Standard SMILES: C1CCC(CN2CCNCC2)CC1
InChIKey: LRPGNFROBDUREU-UHFFFAOYSA-N
Molecular formula: C11H22N2
Average molar mass: 182.31 g/mol
Monoisotopic mass: 182.1782987

Names & identifiers

Preferred name: 1-(Cyclohexylmethyl)piperazine
IUPAC: 1-(cyclohexylmethyl)piperazine
English name: 1-(CYCLOHEXYLMETHYL)PIPERAZINE
Molecular formula: C11H22N2
Molecular weight: 182.31

Names & synonyms

1-(Cyclohexylmethyl)piperazine57184-23-3DTXSID60370998RefChem:226411DTXCID00322032625-574-5(1-Cyclohexylmethyl)piperazineMFCD010752371-cyclohexylmethylpiperazine(cyclohexylmethyl)piperazinePiperazine, 1-(cyclohexylmethyl)-1-cyclohexylmethyl-piperazine

Show more names

CyclohexylmethylpiperazineN-(Cyclohexylmethyl)piperazine1-(Cyclohexylmethyl)piperazine97%1-(Cyclohexylmethyl)piperazine 97%1-(CYCLOHEXYLMETHYL)PIPERAZINE ISO 9001：2015 REACH

1-cyclohexylmethyl piperazineSCHEMBL42121SCHEMBL508979(1-cyclohexyl-methyl)piperazineCyclohexylmethylpiperazine; 97%LRPGNFROBDUREU-UHFFFAOYSA-NSBB0561271-(Cyclohexylmethyl)piperazine, 97%

Database identifiers

CAS: 57184-23-3
PubChem CID: 2735885
DTXSID: DTXSID60370998
EC Number: 625-574-5

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 15.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 135

Physicochemical properties

Boiling point: 230 · 230-231 °C(lit.)
Density: 0.938 g/mL · 0.938 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.4950(lit.)
Flash point: 190 °F · 190 °F
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
form: Liquid
pka: 9.26 · 9.26±0.10(Predicted)
color: Colorless
CAS DataBase Reference: 57184 · 57184-23-3(CAS DataBase Reference)
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335-H227-H318
Precautionary statements: 210 e-P280a-P405-P501a-P261-P305+P351+P338 · P210e-P280a-P405-P501a-P261-P305+P351+P338
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
RIDADR: 1993 · NA 1993 / PGIII
WGK Germany: 3 · 3
Hazard Note: Irritant
HS Code: 2933599590 · 2933599590

Safety & regulation

GHS classification

GHS Classification · 4 items

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)

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

wgk: 3
ridadr: NA 1993 / PGIII
hs_code: 2933599590
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS05,GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36
Hazard statements: H315-H319-H335-H227-H318
Precautionary statements: P210e-P280a-P405-P501a-P261-P305+P351+P338

Chemistry & industry

Applications

Uses1-(Cyclohexylmethyl)piperazine is a crucial compound that could be used as a pharmaceutical intermediate in pharmaceutical synthesis and scientific research.