N-Benzylpyrrole

C11H11NCAS 2051-97-0157.22 g/mol

Open in Covalent MOL file
N

Properties

Molecular formula
C11H11N
Molar mass
157.22 g/mol
Exact mass
157.0891 Da
Density
1.0183 g/mL (at 20 °C)
Melting point
15 °C
Boiling point
247 °C
logP
2.54Crippen estimate
Polar surface area
4.9 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 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
2051-97-0
SMILES
c1ccc(Cn2cccc2)cc1
InChIKey
FNEQHKCQXDKYEO-UHFFFAOYSA-N
InChI
InChI=1S/C11H11N/c1-2-6-11(7-3-1)10-12-8-4-5-9-12/h1-9H,10H2

Weigh it out

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

Names and synonyms

7 names
  • 1H-Pyrrole, 1-(phenylmethyl)-
  • Pyrrole, 1-benzyl-
  • 1-(Phenylmethyl)-1H-pyrrole
  • 1-Benzylpyrrole
  • NSC 116806
  • NSC 4024
  • 1-Benzyl-1H-pyrrole

Work with N-Benzylpyrrole

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

Similar compounds

1-Benzylimidazole4238-71-556 % similar 3-(1H-Pyrrol-1-ylmethyl)pyridine80866-95-156 % similar 1-Benzyl-3-methylimidazolium chloride36443-80-845 % similar Bibenzyl103-29-745 % similar 1-Benzylindole3377-71-745 % similar Diphenylmethane101-81-543 % similar 1,3-Diphenylpropane1081-75-043 % similar 1-Furfurylpyrrole1438-94-443 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Naphthalenemethanamine118-31-0 2,4-Dimethylquinoline1198-37-4 2,8-Dimethylquinoline1463-17-8 2-Methyl-1-naphthalenamine2246-44-8 2,6-Dimethylquinoline877-43-0 2,7-Dimethylquinoline93-37-8

Elsewhere

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