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Compound Fr12759

CAT: 0931-Fr12759-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr12759-03Size:10 mg
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CAS Number
95539-61-0
Bioactivity
Compound Fr12759, with CAS No. 95539-61-0, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr12759 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
NC1=C(CN2CCOCC2)C=CC=C1
Molecular Formula
C11H16N2O
Molecular Weight
192.2575
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-(Morpholin-4-ylmethyl)aniline
CAS Number95539-61-0
PubChem CID6484555
IUPAC Name2-(morpholin-4-ylmethyl)aniline
Molecular FormulaC11H16N2O
Molecular Weight192.26
XLogP0.7
Topological Polar Surface Area38.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity169
SMILES
C1COCCN1CC2=CC=CC=C2N
InChI
InChI=1S/C11H16N2O/c12-11-4-2-1-3-10(11)9-13-5-7-14-8-6-13/h1-4H,5-9,12H2
InChIKey
BNBJMXCRCHPDIG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(Morpholin-4-ylmethyl)aniline
CAS: 95539-61-0
CID: 6484555
Formula: C11H16N2O
MW: 192.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight192.26
XLogP30.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass192.126263138
Monoisotopic Mass192.126263138
Topological Polar Surface Area38.5 Ų
Heavy Atom Count14
Formal Charge0
Complexity169
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
Fr12757-01Compound Fr12757
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Fr12769-01Compound Fr12769
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Fr12758-01Compound Fr12758
Fr12559-01Compound Fr12559
Fr12709-01Compound Fr12709
Fr12259-01Compound Fr12259
Fr12779-01Compound Fr12779

Alternative Products

CatalogName
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C8444-50Compound C108
C5824-10GPR120 Compound A
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HY-U00358Compound 2
HY-14176-01Compound E
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