1,2,3,6-Tetrahydropyridine

C5H9NCAS 694-05-383.13 g/mol

Open in Covalent MOL file
NH
AlkeneSecondary amine

Properties

Molecular formula
C5H9N
Molar mass
83.13 g/mol
Exact mass
83.0735 Da
Density
0.9153 g/mL (at 20 °C)
Melting point
−48 °C
Boiling point
108 °C
Flash point
43 °C
logP
0.54Crippen estimate
Polar surface area
12.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Danger
Flammable (GHS02)Irritant (GHS07)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
694-05-3
SMILES
C1=CCNCC1
InChIKey
FTAHXMZRJCZXDL-UHFFFAOYSA-N
InChI
InChI=1S/C5H9N/c1-2-4-6-5-3-1/h1-2,6H,3-5H2

Weigh it out

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

Names and synonyms

5 names
  • Pyridine, 1,2,3,6-tetrahydro-
  • 1,2,5,6-Tetrahydropyridine
  • δ3-Piperidine
  • NSC 65443
  • 3,6-Dihydro-2H-pyridine

Work with 1,2,3,6-Tetrahydropyridine

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 Boiling point under vacuumAt any pressure, from its normal boiling point 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.

1,2,3,6-Tetrahydropyridine hydrochloride18513-79-6Salt

Similar compounds

3-Pyrroline109-96-653 % similar 2,5-Dihydro-1H-pyrrole hydrochloride63468-63-344 % similar 1,5-Cyclooctadiene111-78-433 % similar 1,5-Cyclooctadiene1552-12-133 % similar 1,5,9-Cyclododecatriene4904-61-433 % similar Trans,trans,trans-1,5,9-Cyclododecatriene676-22-233 % similar Cyclododecatriene706-31-033 % similar Cyclobutene822-35-533 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Pentanenitrile110-59-8 Bicyclo(1.1.1)pentan-1-amine177287-49-9 Butyl isocyanide2769-64-4 1,1-Dimethylpropargylamine2978-58-7 Isovaleronitrile625-28-5 Pivalonitrile630-18-2 tert-Butyl isocyanide7188-38-7 N,N-Dimethylpropargylamine7223-38-3

Elsewhere

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