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(-) -Isopinocampheylborane TMEDA complex

CAT: 0024-sc-252921Size: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-252921Size:5 g
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CAS Number
67826-92-0

Chemical Information

CID 16211704

See also: (+)-Isopinocampheylborane TMEDA Complex (annotation moved to); (-)-Isopinocampheylborane TMEDA Complex (annotation moved to).

CAS Number67826-92-0
PubChem CID16211704
Molecular FormulaC26H50B2N2
Molecular Weight412.3
Topological Polar Surface Area6.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count30
Formal Charge0
Complexity216
SMILES
[B][C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C.[B][C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C.CN(C)CCN(C)C
InChI
InChI=1S/2C10H17B.C6H16N2/c2*1-6-8-4-7(5-9(6)11)10(8,2)3;1-7(2)5-6-8(3)4/h2*6-9H,4-5H2,1-3H3;5-6H2,1-4H3/t2*6-,7+,8-,9-;/m00./s1
InChIKey
YIPGSNPACSKQKJ-NCHGFZPDSA-N
Chemical Structure
2D Structure
2D structure of CID 16211704
CAS: 67826-92-0
CID: 16211704
Formula: C26H50B2N2
MW: 412.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight412.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass412.4160099
Monoisotopic Mass412.4160099
Topological Polar Surface Area6.5 Ų
Heavy Atom Count30
Formal Charge0
Complexity216
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes