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1-Phenylpyrrolidine

CAT: 0024-sc-273470Size: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-273470Size:5 g
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CAS Number
4096-21-3

Chemical Information

1-Phenylpyrrolidine
CAS Number4096-21-3
PubChem CID77726
IUPAC Name1-phenylpyrrolidine
Molecular FormulaC10H13N
Molecular Weight147.22
XLogP3.6
Topological Polar Surface Area3.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity110
SMILES
C1CCN(C1)C2=CC=CC=C2
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
InChIKey
VDQQJMHXZCMNMU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Phenylpyrrolidine
CAS: 4096-21-3
CID: 77726
Formula: C10H13N
MW: 147.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight147.22
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass147.104799419
Monoisotopic Mass147.104799419
Topological Polar Surface Area3.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity110
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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