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Metyrapol

CAT: 0013-GTR19193591-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19193591-02Size:50 mg
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Description
Metyrapol
CAS Number
17159-42-1
Smiles
C (C (C) (C) C=1C=CC=NC1) (O) C=2C=CC=NC2
Molecular Formula
C14H16N2O
Molecular Weight
228.29
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Metyrapol

Metyrapol is a member of pyridines.

CAS Number17159-42-1
PubChem CID161210
IUPAC Name2-methyl-1,2-dipyridin-3-ylpropan-1-ol
Molecular FormulaC14H16N2O
Molecular Weight228.29
XLogP1.8
Topological Polar Surface Area46
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity242
SMILES
CC(C)(C1=CN=CC=C1)C(C2=CN=CC=C2)O
InChI
InChI=1S/C14H16N2O/c1-14(2,12-6-4-8-16-10-12)13(17)11-5-3-7-15-9-11/h3-10,13,17H,1-2H3
InChIKey
DDFNHFXLQJLFSX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Metyrapol
CAS: 17159-42-1
CID: 161210
Formula: C14H16N2O
MW: 228.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight228.29
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass228.126263138
Monoisotopic Mass228.126263138
Topological Polar Surface Area46 Ų
Heavy Atom Count17
Formal Charge0
Complexity242
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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