CAS 64690-19-3

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CHEMISTRY

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BUILDING BLOCK

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Chemistry

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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

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 Formula	C₁₃H₂₂N₂
Molecular Weight	206.33 g/mol
XLogP3	4.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	8
Exact Mass	206.178298710 g/mol
Monoisotopic Mass	206.178298710 g/mol
Topological Polar Surface Area	24.9 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	131
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	1