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Compound Fr12967

CAT: 0931-Fr12967-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr12967-02Size:25 mg
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CAS Number
37812-33-2
Purity
0.9746
Bioactivity
Compound Fr12967, with CAS No. 37812-33-2, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr12967 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
Smiles
N#CC1=C(CN2CCOCC2)C=CC=C1
Molecular Formula
C12H14N2O
Molecular Weight
202.26
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-(Morpholinomethyl)benzonitrile
CAS Number37812-33-2
PubChem CID3302213
IUPAC Name2-(morpholin-4-ylmethyl)benzonitrile
Molecular FormulaC12H14N2O
Molecular Weight202.25
XLogP1.1
Topological Polar Surface Area36.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity239
SMILES
C1COCCN1CC2=CC=CC=C2C#N
InChI
InChI=1S/C12H14N2O/c13-9-11-3-1-2-4-12(11)10-14-5-7-15-8-6-14/h1-4H,5-8,10H2
InChIKey
WXZFICVYQDEYTK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(Morpholinomethyl)benzonitrile
CAS: 37812-33-2
CID: 3302213
Formula: C12H14N2O
MW: 202.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight202.25
XLogP31.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass202.110613074
Monoisotopic Mass202.110613074
Topological Polar Surface Area36.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity239
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

Related Products

CatalogName
Fr12977-01Compound Fr12977
Fr12961-01Compound Fr12961
Fr12947-01Compound Fr12947
Fr12467-01Compound Fr12467
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Fr12767-01Compound Fr12767
Fr12957-01Compound Fr12957
Fr12966-01Compound Fr12966
Fr12907-01Compound Fr12907
Fr12987-01Compound Fr12987

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HY-14176-01Compound E
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