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Ethylamine-boron trifluoride

CAT: 0926-FE104368-01Size: 100 gDry Ice: NoHazardous: No
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CAT#:0926-FE104368-01Size:100 g
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CAS Number
75-23-0
Synonyms
Trifluoroborane ethylamine
MDL Number
MFCD00013198
Smiles
B (F) (F) F.CCN
Molecular Formula
C2H7BF3N
Molecular Weight
112.89 g/mol
Controlled
Yes

Chemical Information

Boron, (ethanamine)trifluoro-, (T-4)-

See also: Ethanamine, compound with trifluoroborane (1:1) (annotation moved to).

CAS Number75-23-0
PubChem CID6355
IUPAC Nameethanamine;trifluoroborane
Molecular FormulaC2H7BF3N
Molecular Weight112.89
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count7
Formal Charge0
Complexity10
SMILES
B(F)(F)F.CCN
InChI
InChI=1S/C2H7N.BF3/c1-2-3;2-1(3)4/h2-3H2,1H3;
InChIKey
JDVIRCVIXCMTPU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Boron, (ethanamine)trifluoro-, (T-4)-
CAS: 75-23-0
CID: 6355
Formula: C2H7BF3N
MW: 112.89
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight112.89
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass113.0623639
Monoisotopic Mass113.0623639
Topological Polar Surface Area26 Ų
Heavy Atom Count7
Formal Charge0
Complexity10.8
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

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