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4-Methyl-2-phenylpyrrolidine

CAT: 0926-RKB76313-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-RKB76313-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
891763-13-6
MDL Number
MFCD05215075
Smiles
CC1CC (NC1) C2=CC=CC=C2
Molecular Formula
C11H15N
Molecular Weight
161.24 g/mol
Controlled
No

Chemical Information

4-Methyl-2-phenylpyrrolidine
CAS Number891763-13-6
PubChem CID4021013
IUPAC Name4-methyl-2-phenylpyrrolidine
Molecular FormulaC11H15N
Molecular Weight161.24
XLogP2.3
Topological Polar Surface Area12
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity138
SMILES
CC1CC(NC1)C2=CC=CC=C2
InChI
InChI=1S/C11H15N/c1-9-7-11(12-8-9)10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3
InChIKey
OVCVERGEPCICMG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Methyl-2-phenylpyrrolidine
CAS: 891763-13-6
CID: 4021013
Formula: C11H15N
MW: 161.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight161.24
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass161.120449483
Monoisotopic Mass161.120449483
Topological Polar Surface Area12 Ų
Heavy Atom Count12
Formal Charge0
Complexity138
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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