1,2,3,6-Tetrahydro-4-phenylpyridine

HCID 82553

Notes Reactions

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Basic information

CAS: 10338-69-9
Standard SMILES: C1=C(c2ccccc2)CCNC1
InChIKey: OMPXTQYWYRWWPH-UHFFFAOYSA-N
Molecular formula: C11H13N
Average molar mass: 159.23 g/mol
Monoisotopic mass: 159.10479942

Overview

RN given refers to parent cpd

Names & identifiers

Preferred name: 1,2,3,6-Tetrahydro-4-phenylpyridine
IUPAC: 4-phenyl-1,2,3,6-tetrahydropyridine
English name: 1,2,3,6-Tetrahydro-4-phenyl-pyridine
Molecular formula: C11H13N
Molecular weight: 159.23

Names & synonyms

4-Phenyl-1,2,3,6-tetrahydropyridine10338-69-91,2,3,6-Tetrahydro-4-phenylpyridineDTXSID2065040RefChem:526304DTXCID60328014-Phenyl-1,2,3,6-tetrahydro-pyridine1,2,3,6-tetrahydro-4-phenyl-pyridineMFCD00023118CHEMBL6224Pyridine, 1,2,3,6-tetrahydro-4-phenyl-Oprea1_874761

Show more names

4-Phenyl-1,2,3,6-tetrahydropyr1,2,3,6-Tetrahydro-4-phenyl-pyridine USP/EP/BP4-Phenyl-1,2,3,6-tetrahydro-pyridine, CAS 10338-69-91,2,3,6-tetrahydro-4-phenyl-pyridine:4-phenyl-1,2,3,6-tetrahydropyridine

NSC 54451SCHEMBL240095SCHEMBL415545SCHEMBL1815449SCHEMBL2186127SCHEMBL2422050SCHEMBL2422052SCHEMBL10521864

Database identifiers

CAS: 10338-69-9
PubChem CID: 82553
DTXSID: DTXSID2065040
ChEMBL: CHEMBL6224
EC Number: 676-256-8
Nikkaji: J257.553A

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 12 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 166

Experimental & physicochemical properties

LogP1.99

Physicochemical properties

Boiling point: 100 · 100-105 °C(Press: 1.5 Torr)
Density: 1.008 · 1.008±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
pka: 9.41 · 9.41±0.10(Predicted)
Appearance: White to off-white Solid
CAS DataBase Reference: 10338 · 10338-69-9(CAS DataBase Reference)
EPA Substance Registry System: 1 · 1,2,3,6-Tetrahydro-4-phenylpyridine (10338-69-9)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xn
Risk Statements: 22 · 22-36-51
Safety Statements: 26 · 26
TSCA: TSCA listed

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): 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)

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