Products for Research Use Only
RegisterLogin

Compound Fr12965

CAT: 0931-Fr12965-01Size: 200 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-Fr12965-01Size:200 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
857283-91-1
Bioactivity
Compound Fr12965, with CAS No. 857283-91-1, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr12965 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=CC=CC(CN2CCOCC2)=C1
Molecular Formula
C12H14N2O
Molecular Weight
202.26
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-(Morpholin-4-ylmethyl)benzonitrile
CAS Number857283-91-1
PubChem CID7164605
IUPAC Name3-(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=C2)C#N
InChI
InChI=1S/C12H14N2O/c13-9-11-2-1-3-12(8-11)10-14-4-6-15-7-5-14/h1-3,8H,4-7,10H2
InChIKey
GSVNKQLSALKJHW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(Morpholin-4-ylmethyl)benzonitrile
CAS: 857283-91-1
CID: 7164605
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
Fr12985-01Compound Fr12985
Fr12665-01Compound Fr12665
Fr12465-01Compound Fr12465
Fr12961-01Compound Fr12961
Fr12265-01Compound Fr12265
Fr12995-01Compound Fr12995
Fr12975-01Compound Fr12975
Fr12925-01Compound Fr12925
Fr12966-01Compound Fr12966
Fr12967-01Compound Fr12967

Alternative Products

CatalogName
ALX-550-516-M025Compound A
A8197-5.1Compound 56
C8444-50Compound C108
C5824-10GPR120 Compound A
B7337-5Compound 401
XXC35825-01Compound 3a
HY-U00358Compound 2
HY-14176-01Compound E
2573-5Compound 112254
1898-1000Compound 34

Popular Products