1-(1-Piperidinylsulfonyl)piperazine

HCID 285501

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Basic information

CAS: 500587-48-4
Standard SMILES: O=S(=O)(N1CCCCC1)N1CCNCC1
InChIKey: DRAVEXQQEXRRDS-UHFFFAOYSA-N
Molecular formula: C9H19N3O2S
Average molar mass: 233.33 g/mol
Monoisotopic mass: 233.11979785

Names & identifiers

Preferred name: 1-(1-Piperidinylsulfonyl)piperazine
IUPAC: 1-piperidin-1-ylsulfonylpiperazine
English name: 1-(Piperidin-1-yl-sulfonyl)-piperazine
Molecular formula: C9H19N3O2S
Molecular weight: 233.33

Names & synonyms

1-(1-piperidinylsulfonyl)piperazineRefChem:419970500587-48-41-(piperidin-1-ylsulfonyl)piperazine1-(Piperidine-1-sulfonyl)piperazine1-(Piperidine-1-sulfonyl)-piperazine1-(Piperidin-1-yl-sulfonyl)-piperazine1-piperidin-1-ylsulfonylpiperazineMFCD04973338F3083-0217(piperidylsulfonyl)piperazine1-(piperidin-1-ylsulphonyl)piperazine

Show more names

AKOS BBS-00005893TIMTEC-BB SBB0101911-(Piperidin-1-yl-sulfonyl)-piperazi1-(PIPERIDIN-1-YL-SULPHONYL)PIPERAZINEPiperazine, 1-(1-piperidinylsulfonyl)-1-(PIPERIDIN-1-YL-SULFONYL)-PIPERAZINE >98%

NSC142486MLS000067248SCHEMBL3176249SCHEMBL6962582CHEMBL1594673SCHEMBL26923105DTXSID70301334DRAVEXQQEXRRDS-UHFFFAOYSA-N

Database identifiers

CAS: 500587-48-4
PubChem CID: 285501
DTXSID: DTXSID70301334
ChEMBL: CHEMBL1594673
EC Number: 674-600-1

Properties

Computed structural properties

XLogP: -0.4
Topological polar surface area: 61 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 287

Physicochemical properties

Melting point: 61 · 61-64°C
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
CAS DataBase Reference: 500587 · 500587-48-4(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H312-H332
Precautionary statements: 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501
Hazard Codes: Xi
HazardClass: IRRITANT
HS Code: 2933599590 · 2933599590

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code: 2933599590
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_class: IRRITANT
Hazard statements: H302-H312-H332
Precautionary statements: P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501