chempirical

1-Phenylpyrrolidine

C10H13NCAS 4096-21-3147.22 g/mol

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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

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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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 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

Same formula

2-Methyltetrahydroquinoline1780-19-4 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 2-Aminotetralin2954-50-9 1-Methyl-1,2,3,4-tetrahydroisoquinoline4965-09-7 6-Methyl-1,2,3,4-tetrahydroquinoline91-61-2

Elsewhere

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