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Borane morpholine complex

CAT: 0127-OR11134-01Size: 100 gDry Ice: NoHazardous: No
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CAT#:0127-OR11134-01Size:100 g
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CAS Number
4856-95-5
MDL Number
MFCD00066736
Purity
98%
Smiles
B.C1COCCN1

Chemical Information

(T-4)-Trihydro(morpholine-kappaN4)boron
CAS Number4856-95-5
PubChem CID517361
IUPAC Nameborane;morpholine
Molecular FormulaC4H12BNO
Molecular Weight100.96
Topological Polar Surface Area21.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count7
Formal Charge0
Complexity34
SMILES
B.C1COCCN1
InChI
InChI=1S/C4H9NO.BH3/c1-3-6-4-2-5-1;/h5H,1-4H2;1H3
InChIKey
IFVAHVOGOBRFSP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (T-4)-Trihydro(morpholine-kappaN4)boron
CAS: 4856-95-5
CID: 517361
Formula: C4H12BNO
MW: 100.96
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight100.96
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass101.1011942
Monoisotopic Mass101.1011942
Topological Polar Surface Area21.3 Ų
Heavy Atom Count7
Formal Charge0
Complexity34.5
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes