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Also known as: N-octylpyridin-4-amine, 64690-19-3, 4-pyridinamine, n-octyl-, 4-(octylamino)-pyridine, 4-octylaminopyridine, Z5wn9z9rvq
Molecular Formula
C13H22N2
Molecular Weight
206.33  g/mol
InChI Key
RHDWCSIBVZKRRU-UHFFFAOYSA-N
FDA UNII
Z5WN9Z9RVQ

CAS 64690-19-3
1 2D Structure

CAS 64690-19-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N-octylpyridin-4-amine
2.1.2 InChI
InChI=1S/C13H22N2/c1-2-3-4-5-6-7-10-15-13-8-11-14-12-9-13/h8-9,11-12H,2-7,10H2,1H3,(H,14,15)
2.1.3 InChI Key
RHDWCSIBVZKRRU-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCCCCCCCNC1=CC=NC=C1
2.2 Other Identifiers
2.2.1 UNII
Z5WN9Z9RVQ
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. N-octylpyridin-4-amine

2. 64690-19-3

3. 4-pyridinamine, N-octyl-

4. 4-(octylamino)-pyridine

5. 4-octylaminopyridine

6. Z5wn9z9rvq

7. Mfcd09743883

8. Einecs 265-019-0

9. N-octyl-4-pyridinamine

10. N-octylpyridine-4-amine

11. Unii-z5wn9z9rvq

12. N-octylpyridin-4(1h)-imine

13. Schembl2262258

14. Dtxsid90983313

15. Act04263

16. Akos015843245

17. Zinc100005449

18. Cs-w022020

19. Sb38118

20. Ds-14950

21. Sy030347

22. Db-073525

23. Ft-0648867

24. 690o193

25. A834851

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 206.33 g/mol
Molecular Formula C13H22N2
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Exact Mass206.178298710 g/mol
Monoisotopic Mass206.178298710 g/mol
Topological Polar Surface Area24.9 Ų
Heavy Atom Count15
Formal Charge0
Complexity131
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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