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1,3-oxazinane

CAT: 0931-TD1293-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-TD1293-01Size:2 mg
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CAS Number
14558-49-7
Bioactivity
1,3-oxazinane, with CAS No. 14558-49-7, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. 1,3-oxazinane 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
C1COCNC1
Molecular Formula
C4H9NO
Molecular Weight
87.12
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1,3-Oxazinane
CAS Number14558-49-7
PubChem CID287364
IUPAC Name1,3-oxazinane
Molecular FormulaC4H9NO
Molecular Weight87.12
XLogP-0.1
Topological Polar Surface Area21.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count6
Formal Charge0
Complexity38
SMILES
C1CNCOC1
InChI
InChI=1S/C4H9NO/c1-2-5-4-6-3-1/h5H,1-4H2
InChIKey
LQPOOAJESJYDLS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,3-Oxazinane
CAS: 14558-49-7
CID: 287364
Formula: C4H9NO
MW: 87.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight87.12
XLogP3-0.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass87.068413911
Monoisotopic Mass87.068413911
Topological Polar Surface Area21.3 Ų
Heavy Atom Count6
Formal Charge0
Complexity38.5
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

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Alternative Products

CatalogName
OR1066521-011,3-Oxazinane
MKD55966-014-Phenyl-1,3-oxazinane
sc-304014[1,2]Oxazinane
OR1038173-011,3-Oxazinane-2,6-dione
OR76224-011,2-Oxazinane hydrochloride
PBA75464-016- (Phenoxymethyl) -1,3-oxazinane-2-thione
TLC31750-012-Oxo-1,3-oxazinane-4-carboxylic acid
AAA70254-015,5-Diethyl-1,3-oxazinane-2,4-dione
EAD58940-01Benzyl 1,2-oxazinane-2-carboxylate
OR135713- (tert-Butyl) -5- (hydroxymethyl) -5-nitro-1,3-oxazinane

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