CAS 13289-97-9

LGM Pharma accelerates & optimizes the new product pathway from early development through commercialization.

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Also known as: 13289-97-9, N,n-diethylaniline borane, Borane-n,n-diethylaniline complex, N,n-diethylanilineborane, Borane-n,n-diethylaniline, Borane - n,n-diethylaniline complex

Molecular Formula

C₁₀H₁₅BN

Molecular Weight

160.05 g/mol

InChI Key

KHYAFFAGZNCWPT-UHFFFAOYSA-N

1 2D Structure

CAS 13289-97-9

2 Identification

2.1 Computed Descriptors

2.1.1 InChI

InChI=1S/C10H15N.B/c1-3-11(4-2)10-8-6-5-7-9-10;/h5-9H,3-4H2,1-2H3;

2.1.2 InChI Key

KHYAFFAGZNCWPT-UHFFFAOYSA-N

2.1.3 Canonical SMILES

[B].CCN(CC)C1=CC=CC=C1

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 13289-97-9

2. N,n-diethylaniline Borane

3. Borane-n,n-diethylaniline Complex

4. N,n-diethylanilineborane

5. Borane-n,n-diethylaniline

6. Borane - N,n-diethylaniline Complex

7. (diethyl(phenyl)ammonio)trihydroborate

8. Borane N,n-diethylaniline Complex

9. 1104455-83-5

10. Nsc 239123

11. (n,n-diethylaniline)trihydroboron

12. Diethylphenylamine-borane

13. N.n Diethylanilineborane

14. Boron;n,n-diethylaniline

15. Borane, N,n-diethylaniline Complex

16. Borane Diethylaniline

17. Diethylaniline Borane

18. Einecs 236-305-2

19. Mfcd00013187

20. Borane-n,n-diethyl Aniline

21. Schembl184484

22. Schembl5585967

23. Dtxsid8065400

24. Act05272

25. Amy14802

26. Bcp13080

27. Akos015833632

28. As-55590

29. Db-042145

30. D2581

31. Ft-0636865

32. D78343

33. F14239

34. A806522

35. J-006247

2.3 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₅BN
Molecular Weight	160.05 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	160.1297546 g/mol
Monoisotopic Mass	160.1297546 g/mol
Topological Polar Surface Area	3.2 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	91
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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