(R,S)-Anatabine

C₁₀H₁₂N₂CAS 2743-90-0160.22 g/mol

Open in Covalent MOL file

Alkene Secondary amine

Properties

Molecular formula: C₁₀H₁₂N₂
Molar mass: 160.22 g/mol
Exact mass: 160.1000 Da
logP: 1.67Crippen estimate
Polar surface area: 24.9 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed93% of notifiers
H319 Causes serious eye irritation93% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, P501

Identifiers

CAS number

2743-90-0

SMILES

C1C=CCNC1C2=CN=CC=C2

InChIKey

SOPPBXUYQGUQHE-UHFFFAOYSA-N

InChI

InChI=1S/C10H12N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h1-4,6,8,10,12H,5,7H2

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

Names and synonyms

1 names

(+-)-1,2,3,6-Tetrahydro-2,3'-bipyridine

Work with (R,S)-Anatabine

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

Similar compounds

(±)-Nornicotine5746-86-153 % similar (±)-Anabasine13078-04-151 % similar Anabasine494-52-051 % similar N-Nitrosoanatabine71267-22-643 % similar Alpha-Methyl-3-pyridinemethanol4754-27-238 % similar α-Methyl-3-pyridinemethanamine56129-55-638 % similar DL-Nicotine22083-74-536 % similar (-)-Nicotine54-11-536 % similar

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

Same formula

2-(4-Aminophenyl)-2-methylpropanenitrile115279-57-7 3-[(3-Methylphenyl)amino]propanenitrile27618-25-3 2,5,6-Trimethylbenzimidazole3363-56-2 2-Propyl-1H-benzimidazole5465-29-2 1-Ethyl-2-methyl-1H-benzimidazole5805-76-5 2-Isopropylbenzimidazole5851-43-4 Tolazoline59-98-3 Tryptamine61-54-1

Elsewhere

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