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m-Aminoglutethimide

CAT: 0572-TRC-A609805-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A609805-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
83417-11-2
Synonyms
(3RS)-3-(3-Aminophenyl)-3-ethylpiperidine-2,6-dione; 3-Aminoglutethimide; m-Aminoglutethimide
Hazard Statement
Harmful if swallowed
Smiles
CCC1(CCC(=O)NC1=O)c2cccc(N)c2
Molecular Formula
C13 H16 N2 O2
Molecular Weight
232.28
InChI
InChI=1S/C13H16N2O2/c1-2-13(7-6-11(16)15-12(13)17)9-4-3-5-10(14)8-9/h3-5,8H,2,6-7,14H2,1H3,(H,15,16,17)
Additionnal Information
IUPAC name: 3-(3-aminophenyl)-3-ethylpiperidine-2,6-dione
Shipping Conditions
Room Temperature

Chemical Information

3-Aminoglutethimide
CAS Number83417-11-2
PubChem CID13052888
IUPAC Name3-(3-aminophenyl)-3-ethylpiperidine-2,6-dione
Molecular FormulaC13H16N2O2
Molecular Weight232.28
XLogP1.2
Topological Polar Surface Area72.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity329
SMILES
CCC1(CCC(=O)NC1=O)C2=CC(=CC=C2)N
InChI
InChI=1S/C13H16N2O2/c1-2-13(7-6-11(16)15-12(13)17)9-4-3-5-10(14)8-9/h3-5,8H,2,6-7,14H2,1H3,(H,15,16,17)
InChIKey
IPTDTILLJBETGP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Aminoglutethimide
CAS: 83417-11-2
CID: 13052888
Formula: C13H16N2O2
MW: 232.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight232.28
XLogP31.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass232.121177757
Monoisotopic Mass232.121177757
Topological Polar Surface Area72.2 Ų
Heavy Atom Count17
Formal Charge0
Complexity329
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

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