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Compound Fr13833

CAT: 0931-Fr13833-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr13833-02Size:2 mg
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CAS Number
6105-75-5
Bioactivity
Compound Fr13833, with CAS No. 6105-75-5, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13833 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
CC(C)(N)CN1CCOCC1
Molecular Formula
C8H18N2O
Molecular Weight
158.2413
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-Methyl-1-(morpholin-4-yl)propan-2-amine
CAS Number6105-75-5
PubChem CID201497
IUPAC Name2-methyl-1-morpholin-4-ylpropan-2-amine
Molecular FormulaC8H18N2O
Molecular Weight158.24
XLogP-0.4
Topological Polar Surface Area38.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity119
SMILES
CC(C)(CN1CCOCC1)N
InChI
InChI=1S/C8H18N2O/c1-8(2,9)7-10-3-5-11-6-4-10/h3-7,9H2,1-2H3
InChIKey
JCXYZQUYVNLCTG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methyl-1-(morpholin-4-yl)propan-2-amine
CAS: 6105-75-5
CID: 201497
Formula: C8H18N2O
MW: 158.24
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight158.24
XLogP3-0.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass158.141913202
Monoisotopic Mass158.141913202
Topological Polar Surface Area38.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity119
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