CAS 675198-19-3

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1 End Use APIs
18 Related Intermediates

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Also known as: 675198-19-3, [4-(3-methyoxypropoxy)-3-methyl-2-pyridinyl]methanol hydrochloride, (4-(3-methoxypropoxy)-3-methyl-2-pyridinyl)methanol hydrochloride, 4-(3-methoxypropoxy)-3-methylpyridine-2-methanol hydrochloride, Mfcd06411171, [4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methanol hydrochloride

Molecular Formula

C₁₁H₁₈ClNO₃

Molecular Weight

247.72 g/mol

InChI Key

RDBHROBXRZPIIK-UHFFFAOYSA-N

1 2D Structure

CAS 675198-19-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methanol;hydrochloride

2.1.2 InChI

InChI=1S/C11H17NO3.ClH/c1-9-10(8-13)12-5-4-11(9)15-7-3-6-14-2;/h4-5,13H,3,6-8H2,1-2H3;1H

2.1.3 InChI Key

RDBHROBXRZPIIK-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(C=CN=C1CO)OCCCOC.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 675198-19-3

2. [4-(3-methyoxypropoxy)-3-methyl-2-pyridinyl]methanol Hydrochloride

3. (4-(3-methoxypropoxy)-3-methyl-2-pyridinyl)methanol Hydrochloride

4. 4-(3-methoxypropoxy)-3-methylpyridine-2-methanol Hydrochloride

5. Mfcd06411171

6. [4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methanol Hydrochloride

7. [4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methanol;hydrochloride

8. 2-hydroxymethyl-4-(3-methoxypropoxy)-3-methylpyridine Hydrochloride

9. Dtxsid50639965

10. Akos015849587

11. Cs-w010227

12. Ac-22640

13. Ds-15919

14. Sy225932

15. A9046

16. F20427

17. 198m193

18. (4-(3-methoxypropoxy)-3-methyl-2-pyridinyl)methanol Hcl

19. Methoxypropoxy)-3-methylpyridin-2-yl)methanol Hydrochloride

20. 4-(3-methoxypropoxy)-2-methylpyridin-3-yl]methanol Hcl

21. (4-(3-methoxypropoxy)-3-methylpyridin-2-yl)methanolhydrochloride

22. [4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methanol,hydrochloride

23. [4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methanol Hydrochloride (1:1)

24. [4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methanol--hydrogen Chloride (1/1)

25. (4-(3-methoxypropoxy)-3-methylpyridin-2-yl)methanol Hydrochloride;4-(3-methoxypropoxy)-3-methylpyridine-2-methanol Hydrochloride

2.3 Create Date

2008-02-29

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₈ClNO₃
Molecular Weight	247.72 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	247.0975211 g/mol
Monoisotopic Mass	247.0975211 g/mol
Topological Polar Surface Area	51.6 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	166
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