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Compound Fr13097

CAT: 0931-Fr13097-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr13097-02Size:25 mg
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CAS Number
91271-84-0
Bioactivity
Compound Fr13097, with CAS No. 91271-84-0, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13097 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
NCC1=CC=C(CN2CCOCC2)C=C1
Molecular Formula
C12H18N2O
Molecular Weight
206.29
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

[4-(Morpholin-4-ylmethyl)phenyl]methanamine
CAS Number91271-84-0
PubChem CID2795501
IUPAC Name[4-(morpholin-4-ylmethyl)phenyl]methanamine
Molecular FormulaC12H18N2O
Molecular Weight206.28
XLogP0.4
Topological Polar Surface Area38.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity172
SMILES
C1COCCN1CC2=CC=C(C=C2)CN
InChI
InChI=1S/C12H18N2O/c13-9-11-1-3-12(4-2-11)10-14-5-7-15-8-6-14/h1-4H,5-10,13H2
InChIKey
OTMQHFNPBREFIL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of [4-(Morpholin-4-ylmethyl)phenyl]methanamine
CAS: 91271-84-0
CID: 2795501
Formula: C12H18N2O
MW: 206.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight206.28
XLogP30.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass206.141913202
Monoisotopic Mass206.141913202
Topological Polar Surface Area38.5 Ų
Heavy Atom Count15
Formal Charge0
Complexity172
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
Fr13098-01Compound Fr13098
Fr13067-01Compound Fr13067
Fr13093-01Compound Fr13093
Fr13497-01Compound Fr13497
Fr13099-01Compound Fr13099
Fr13077-01Compound Fr13077
Fr13047-01Compound Fr13047
Fr14097-01Compound Fr14097
Fr13096-01Compound Fr13096
Fr13079-01Compound Fr13079

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ALX-550-516-M025Compound A
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HY-U00358Compound 2
HY-14176-01Compound E
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