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

C11H13NCAS 10338-69-9159.23 g/mol

Open in Covalent MOL file
HN
AlkeneSecondary amine

Properties

Molecular formula
C11H13N
Molar mass
159.23 g/mol
Exact mass
159.1048 Da
Boiling point
100–105 °C (at 1.5 Torr)
logP
2.06Crippen estimate
Polar surface area
12.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
10338-69-9
SMILES
C1=C(c2ccccc2)CCNC1
InChIKey
OMPXTQYWYRWWPH-UHFFFAOYSA-N
InChI
InChI=1S/C11H13N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-6,12H,7-9H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • Pyridine, 1,2,3,6-tetrahydro-4-phenyl-
  • 4-Phenyl-1,2,5,6-tetrahydropyridine
  • 4-Phenyl-1,2,3,6-tetrahydropyridine
  • 1,2,5,6-Tetrahydro-4-phenylpyridine
  • NSC 54451
  • 4-Phenyl-3,6-dihydro-2H-pyridine

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

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

4-Phenyl-1,2,5,6-tetrahydropyridine hydrochloride43064-12-6Salt

Similar compounds

4-(4-Chlorophenyl)-1,2,5,6-tetrahydropyridine hydrochloride51304-61-160 % similar 1-Phenylcyclohexene31017-40-050 % similar 1-Phenylcyclohexene771-98-250 % similar 1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine hydrochloride23007-85-440 % similar 1,4-Diphenyl-1,4-butanedione495-71-639 % similar 1,6-Diphenyl-1,6-hexanedione3375-38-036 % similar Dihydrochalcone1083-30-334 % similar 1-Benzoylpiperazine13754-38-634 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,3,3-Trimethylindolenine1640-39-7 4-Butylbenzonitrile20651-73-4 2,4,6-Trimethylphenylacetonitrile34688-71-6 1-Ethyl-2-methyl-1H-indole40876-94-6 4-(1,1-Dimethylethyl)benzonitrile4210-32-6 4-Isopropylphenylacetonitrile4395-87-3 1-Benzyl-2,5-dihydro-1H-pyrrole6913-92-4

Elsewhere

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