CAS 92822-01-0 4-[(4-Methylphenyl)methyl]piperidine (HCID 3375603)

Substructure search Find similar structures

Basic information

CAS: 92822-01-0
Standard SMILES: Cc1ccc(CC2CCNCC2)cc1
InChIKey: WOOPTEWYQWYUGW-UHFFFAOYSA-N
Molecular formula: C13H19N
Average molar mass: 189.3 g/mol
Monoisotopic mass: 189.15174961

Names & identifiers

Preferred name: 4-[(4-Methylphenyl)methyl]piperidine
IUPAC: 4-[(4-methylphenyl)methyl]piperidine
English name: 4-(4-METHYL-BENZYL)-PIPERIDINE
Molecular formula: C13H19N
Molecular weight: 189.3

Names & synonyms

4-[(4-methylphenyl)methyl]piperidine4-((4-methylphenyl)methyl)piperidineRefChem:509551819-403-54-(4-methylbenzyl)piperidine92822-01-04-(4-Methyl-benzyl)-piperidineMFCD051899254-(p-tolylmethyl)piperidine4-(4-methylbenzyl)-piperidineSCHEMBL4245166SCHEMBL8643290

Show more names

Piperidine, 4-[(4-methylphenyl)methyl]-

DTXSID10391916WOOPTEWYQWYUGW-UHFFFAOYSA-NSDA82201AKOS009157498AB21597DA-00716CS-0106051EN300-132138

Database identifiers

CAS: 92822-01-0
PubChem CID: 3375603
DTXSID: DTXSID10391916
EC Number: 819-403-5
Nikkaji: J1.126.660F

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 12 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 153

Physicochemical properties

Boiling point: 298.9 · 298.9±9.0 °C(Predicted)
Density: 0.96 · 0.960±0.06 g/cm3(Predicted)
pka: 10.6 · 10.60±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xi
Risk Statements: 36 · 36
Safety Statements: 26 · 26
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.