DL-Nicotine

C₁₀H₁₄N₂CAS 22083-74-5162.24 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₄N₂
Molar mass: 162.24 g/mol
Exact mass: 162.1157 Da
Melting point: −79 °C
Boiling point: 247 °C
logP: 1.85Crippen estimate
Polar surface area: 16.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed92.7% of notifiers
H310 Fatal in contact with skin100% of notifiers
H411 Toxic to aquatic life with long lasting effects100% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P262, P264, P270, P273, P280, P301+P316, P302+P352, P316, P321, P330, P361+P364, P391, P405, P501

Identifiers

CAS number

22083-74-5

SMILES

CN1CCCC1c1cccnc1

InChIKey

SNICXCGAKADSCV-UHFFFAOYSA-N

InChI

InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3

Weigh it out

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

Names and synonyms

8 names

Pyridine, 3-(1-methyl-2-pyrrolidinyl)-
Nicotine, (±)-
Pyridine, 3-(1-methyl-2-pyrrolidinyl)-, (±)-
3-(1-Methyl-2-pyrrolidinyl)pyridine
(±)-Nicotine
(R,S)-Nicotine
1-Methyl-2-(3-pyridyl)pyrrolidine
3-(1-Methylpyrrolidin-2-yl)pyridine

Work with DL-Nicotine

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.

(-)-Nicotine54-11-5Defined stereoisomer (-)-Nicotine hydrogen (+)-tartrate2624-48-8Salt, defined stereoisomer (-)-Nicotine hydrogen (+)-tartrate65-31-6Salt, defined stereoisomer Nicotine sulfate65-30-5Salt, defined stereoisomer

Similar compounds

α-Methyl-3-pyridinemethanamine56129-55-645 % similar (±)-Nornicotine5746-86-144 % similar Alpha-Methyl-3-pyridinemethanol4754-27-241 % similar N-Nitrosoanatabine71267-22-640 % similar trans-1-Methyl-4-carboxy-5-(3-pyridyl)-2-pyrrolidinone33224-01-036 % similar (R,S)-Anatabine2743-90-036 % similar 1-Methyl-3-phenylpiperidine19509-11-635 % similar (S)-(+)-2-[Hydroxy(diphenyl)methyl]-1-methylpyrrolidine110529-22-135 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(±)-Anabasine13078-04-1 1-Methyl-1,2,3,4-tetrahydroquinolin-7-amine304690-94-6 Anabasine494-52-0 2-Phenylpiperazine5271-26-1 1,2,3,4,5,6-Hexahydro-[4,4′]bipyridinyl581-45-3 Phenylpiperazine92-54-6

Elsewhere

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