1-Cycloheptylpiperazine

HCID 796166CAS 21043-42-5

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Basic information

Standard SMILES: C1CCCC(N2CCNCC2)CC1
InChIKey: CHSINHUYLALJPT-UHFFFAOYSA-N
Molecular formula: C11H22N2
Average molar mass: 182.31 g/mol
Monoisotopic mass: 182.1782987

Names & identifiers

Preferred name: 1-Cycloheptylpiperazine
IUPAC: 1-cycloheptylpiperazine
English name: 1-Cycloheptyl-piperazine
Molecular formula: C11H22N2
Molecular weight: 182.31

Names & synonyms

1-cycloheptylpiperazine21043-42-5DTXSID00355300RefChem:229631DTXCID303063601-Cycloheptyl-piperazine1-(cycloheptyl)piperazinePiperazine, 1-cycloheptyl-MFCD01076573(1-Cycloheptyl)piperazinecycloheptylpiperazineOprea1_351054

Show more names

BUTTPARK 82\06-07TIMTEC-BB SBB003734RARECHEM AH CK 0077N-Cycloheptylpiperazine1-CYCLOHEPTYL-PIPERAZINE >98%1-(Cycloheptyl)piperazine 98%1-CYCLOHEPTYL-PIPERAZINE ISO 9001：2015 REACH

Oprea1_778868SCHEMBL42786SCHEMBL451992CHEMBL1621975SCHEMBL27466117SCHEMBL28691107CHSINHUYLALJPT-UHFFFAOYSA-NWAA04342

Database identifiers

CAS: 21043-42-5
PubChem CID: 796166
DTXSID: DTXSID00355300
ChEMBL: CHEMBL1621975
EC Number: 671-068-2

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 15.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 133

Physicochemical properties

Boiling point: 68 °C · 68 °C
Density: 0.952 · 0.952±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
form: liquid
pka: 9.2 · 9.20±0.10(Predicted)
color: Yellow to brown
CAS DataBase Reference: 21043 · 21043-42-5(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P271-P280
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
Hazard Note: Irritant
HS Code: 2933599590 · 2933599590

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, 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.