chempirical

N-Nitrosoanatabine

C10H11N3OCAS 71267-22-6189.22 g/mol

Open in Covalent MOL file
ONNN
AlkeneTertiary amine

Properties

Molecular formula
C10H11N3O
Molar mass
189.22 g/mol
Exact mass
189.0902 Da
logP
2.07Crippen estimate
Polar surface area
45.6 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
71267-22-6
SMILES
O=NN1CC=CC[C@H]1c1cccnc1
InChIKey
ZJOFAFWTOKDIFH-JTQLQIEISA-N
InChI
InChI=1S/C10H11N3O/c14-12-13-7-2-1-5-10(13)9-4-3-6-11-8-9/h1-4,6,8,10H,5,7H2/t10-/m0/s1

Weigh it out

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

Names and synonyms

7 names
  • 2,3′-Bipyridine, 1,2,3,6-tetrahydro-1-nitroso-, (2S)-
  • 2,3′-Bipyridine, 1,2,3,6-tetrahydro-1-nitroso-, (S)-
  • (2S)-1,2,3,6-Tetrahydro-1-nitroso-2,3′-bipyridine
  • N′-Nitrosoanatabine
  • NAT
  • (S)-N′-Nitrosoanatabine
  • 3-[(2S)-1-Nitroso-1,2,3,6-tetrahydropyridin-2-yl]pyridine

Work with N-Nitrosoanatabine

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

Dl-nicotine22083-74-540 % similar (-)-Nicotine54-11-540 % similar Nicotine sulfate65-30-536 % similar (-)-Nicotine hydrogen (+)-tartrate2624-48-833 % similar α-Methyl-3-pyridinemethanol4754-27-233 % similar α-Methyl-3-pyridinemethanamine56129-55-633 % similar (±)-Nornicotine5746-86-133 % similar (-)-Nicotine hydrogen (+)-tartrate65-31-633 % similar

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

Same formula

3-Indolylacetic acid hydrazide5448-47-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook