1-Cyclohexylpiperazine

HCID 87298CAS 17766-28-8

Substructure search Find similar structures

Basic information

Standard SMILES: C1CCC(N2CCNCC2)CC1
InChIKey: XPDSXKIDJNKIQY-UHFFFAOYSA-N
Molecular formula: C10H20N2
Average molar mass: 168.28 g/mol
Monoisotopic mass: 168.16264864

Overview

structure in first source

Names & identifiers

Preferred name: 1-Cyclohexylpiperazine
IUPAC: 1-cyclohexylpiperazine
English name: 1-Cyclohexylpiperazine
Molecular formula: C10H20N2
Molecular weight: 168.28

Names & synonyms

1-Cyclohexylpiperazine17766-28-82U3UBJ45HDDTXSID40170357RefChem:75504DTXCID3092848241-750-01-Cyclohexyl-piperazinePiperazine, 1-cyclohexyl-N-cyclohexylpiperazineMFCD000448094-cyclohexylpiperazine

Show more names

AKOS BBS-00003612BUTTPARK 82\06-06TIMTEC-BB SBB003875Avatopal impurity 471-CyclohexylpiperizineAvatrombopag Impurity 9Avatroposide impurities15

Oprea1_3219281-cyclohexyl piperazine4-(1-cyclohexyl)piperazineSCHEMBL43171CHEMBL574182n-cyclohexylpiperazine;1-cyclohexylpiperazine2-Amino-3-chloro-5-trifluoropyridineCS-W020172

Database identifiers

CAS: 17766-28-8
PubChem CID: 87298
DTXSID: DTXSID40170357
ChEMBL: CHEMBL574182
UNII: 2U3UBJ45HD
EC Number: 241-750-0
Nikkaji: J287.149A

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 15.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 124

Physicochemical properties

Melting point: 28 · 28-32 °C
Boiling point: 287.25 °C · 287.25°C (rough estimate)
Density: 0.9725 · 0.9725 (rough estimate)
refractive index: 1.6011 · 1.6011
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Low Melting Solid
pka: 9.25 · 9.25±0.10(Predicted)
color: Yellow-brownish
BRN: 106845 · 106845
InChI: InChI=1S/C10H20N2/c1-2-4-10(5-3-1)12-8-6-11-7-9-12/h10-11H,1-9H2
InChIKey: XPDSXKIDJNKIQY-UHFFFAOYSA-N
SMILES: N1(C2CCCCC2)CCNCC1
CAS DataBase Reference: 17766 · 17766-28-8(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 24 · 24/25-26
WGK Germany: 3 · 3
Hazard Note: Irritant
HS Code: 29335990 · 29335990

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (95.3%): 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 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (95.3%)

Safety data

wgk: 3
hs_code: 29335990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 24/25-26
Hazard statements: H315-H319-H335
Precautionary statements: P261-P305+P351+P338-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313