1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

tetrabutylazanium;nitrite

2.1.2 InChI

InChI=1S/C16H36N.HNO2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2-1-3/h5-16H2,1-4H3;(H,2,3)/q+1;/p-1

2.1.3 InChI Key

SHRKDVQQQPFSIY-UHFFFAOYSA-M

2.1.4 Canonical SMILES

CCCC[N+](CCCC)(CCCC)CCCC.N(=O)[O-]

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 26501-54-2

2. Tetrabutylazanium;nitrite

3. 1-butanaminium, N,n,n-tributyl-, Nitrite

4. Tetrabutylazanium Nitrite

5. Einecs 247-749-1

6. Schembl1271504

7. Chembl1079049

8. Dtxsid80181088

9. Akos025212611

10. As-67203

11. Ft-0730491

12. J-016452

2.3 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₃₆N₂O₂
Molecular Weight	288.47 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	12
Exact Mass	288.277678395 g/mol
Monoisotopic Mass	288.277678395 g/mol
Topological Polar Surface Area	52.5 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	124
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

CAS 26501-54-2