4-(Piperidine-1-sulfonyl)aniline

HCID 236648

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 6336-68-1
Standard SMILES: Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIKey: ZTTBIWZAAMPNBE-UHFFFAOYSA-N
Molecular formula: C11H16N2O2S
Average molar mass: 240.32 g/mol
Monoisotopic mass: 240.09324875

Names & identifiers

Preferred name: 4-(Piperidine-1-sulfonyl)aniline
IUPAC: 4-piperidin-1-ylsulfonylaniline
English name: 4-(Piperidine-1-sulfonyl)-phenylamine
Molecular formula: C11H16N2O2S
Molecular weight: 240.32

Names & synonyms

6336-68-14-(piperidine-1-sulfonyl)anilineDTXSID50284853RefChem:1070185DTXCID002360044-(piperidin-1-ylsulfonyl)aniline4-(1-Piperidinylsulfonyl)aniline4-piperidin-1-ylsulfonylaniline4-(Piperidine-1-sulfonyl)-phenylamine4-(Piperidinosulfonyl)aniline4-(1-Piperidinylsulfonyl)benzenamineMFCD00276969

Show more names

AKOS BBB/016AKOS BBS-00000292BUTTPARK 100\07-70IFLAB-BB F1591-0987OTAVA-BB BB72107406190Piperidine-1-sulfonylchloride4-(1-piperidylsulfonyl)aniline

Maybridge1_000153Oprea1_234254Oprea1_7765414-(piperidylsulfonyl)phenylamineN-[4-(amino)phenylsulfonyl]piperidineSB43542SDCCGMLS-0066274.P001N-[4-(amino)phenylsulfonyl]-piperidine

Database identifiers

CAS: 6336-68-1
PubChem CID: 236648
DTXSID: DTXSID50284853
EC Number: 673-498-6
Nikkaji: J3.238.164B

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 71.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 309

Physicochemical properties

Melting point: 169 °C · 169 °C
Boiling point: 419.323 · 419.323±47.00 °C(Press: 760.00 Torr)(predicted)
Density: 1.285 · 1.285±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
storage temp.: 2 · 2-8°C
pka: 2.643 · 2.643±0.10(predicted)
Appearance: Off-white to light yellow Solid
CAS DataBase Reference: 6336 · 6336-68-1(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H312-H315-H319-H332-H335
Precautionary statements: 233 · P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P322-P330-P332+P313-P337+P313-P340-P362-P363-P403-P403+P233-P405-P501
Hazard Codes: Xi
Risk Statements: 20 · 20/21/22-36/37/38
Safety Statements: 26 · 26-36/37/39
HazardClass: IRRITANT
HS Code: 2921420090 · 2921420090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

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

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code: 2921420090
risk_code: 20/21/22-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36/37/39
hazard_class: IRRITANT
Hazard statements: H302-H312-H315-H319-H332-H335
Precautionary statements: P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P322-P330-P332+P313-P337+P313-P340-P362-P363-P403-P403+P233-P405-P501