1-Phenylpyrrolidine

C10H13NCAS 4096-21-3147.22 g/mol

Open in Covalent MOL file
N
Tertiary amine

Properties

Molecular formula
C10H13N
Molar mass
147.22 g/mol
Exact mass
147.1048 Da
Density
1.026 g/mL (at 25 °C)
Melting point
101–102 °C
Boiling point
119–120 °C
logP
2.29Crippen estimate
Polar surface area
3.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P501

Identifiers

CAS number
4096-21-3
SMILES
c1ccc(N2CCCC2)cc1
InChIKey
VDQQJMHXZCMNMU-UHFFFAOYSA-N
InChI
InChI=1S/C10H13N/c1-2-6-10(7-3-1)11-8-4-5-9-11/h1-3,6-7H,4-5,8-9H2

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

Names and synonyms

5 names
  • Pyrrolidine, 1-phenyl-
  • N-Phenylpyrrolidine
  • Pyrrolidinobenzene
  • NSC 53425
  • N-Phenylpyrolidine

Work with 1-Phenylpyrrolidine

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

N-Phenylpiperidine4096-20-294 % similar N,N-Dibutylbenzenamine613-29-670 % similar N-Phenyldiethanolamine120-07-061 % similar 4-Phenylmorpholine92-53-561 % similar Phenylpiperazine92-54-661 % similar Hexahydro-1,3,5-triphenyl-1,3,5-triazine91-78-160 % similar 3,3′-(Phenylimino)bis[propanenitrile]1555-66-458 % similar N-Phenylaza-15-crown-566750-10-558 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Phenylpyrrolidine1006-64-0 2,3,4,5-Tetrahydro-1H-benzo[B]azepine1701-57-1 2-Methyltetrahydroquinoline1780-19-4 (S)-1,2,3,4-Tetrahydro-2-naphthylamine21880-87-5 1,2,3,4-Tetrahydro-1-naphthylamine2217-40-5 5,6,7,8-Tetrahydro-1-naphthylamine2217-41-6 (-)-1,2,3,4-Tetrahydro-1-naphthylamine23357-46-2 (+)-1,2,3,4-Tetrahydro-1-naphthylamine23357-52-0

Elsewhere

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