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2- (2-Phenylethyl) pyrrolidine

CAT: 0024-sc-259153Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-259153Size:250 mg
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CAS Number
106366-30-7

Chemical Information

2-(2-Phenylethyl)pyrrolidine
CAS Number106366-30-7
PubChem CID3722272
IUPAC Name2-(2-phenylethyl)pyrrolidine
Molecular FormulaC12H17N
Molecular Weight175.27
XLogP2.7
Topological Polar Surface Area12
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity138
SMILES
C1CC(NC1)CCC2=CC=CC=C2
InChI
InChI=1S/C12H17N/c1-2-5-11(6-3-1)8-9-12-7-4-10-13-12/h1-3,5-6,12-13H,4,7-10H2
InChIKey
COZIXZLDDAZRGK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2-Phenylethyl)pyrrolidine
CAS: 106366-30-7
CID: 3722272
Formula: C12H17N
MW: 175.27
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight175.27
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass175.136099547
Monoisotopic Mass175.136099547
Topological Polar Surface Area12 Ų
Heavy Atom Count13
Formal Charge0
Complexity138
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes