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Chemistry

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Also known as: 118175-10-3, (4-(3-methoxypropoxy)-3-methylpyridin-2-yl)methanol, 2-hydroxymethyl-3-methyl-4-(3-methoxypropanoxyl)pyridine, [4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methanol, 2-pyridinemethanol, 4-(3-methoxypropoxy)-3-methyl-, Bv1am69m15
Molecular Formula
C11H17NO3
Molecular Weight
211.26  g/mol
InChI Key
OLBSXXZEMRBFIG-UHFFFAOYSA-N
FDA UNII
BV1AM69M15

2-Hydroxymethyl-4-3-Methoxypropoxy-3-Methylpyrid
1 2D Structure

2-Hydroxymethyl-4-3-Methoxypropoxy-3-Methylpyrid

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methanol
2.1.2 InChI
InChI=1S/C11H17NO3/c1-9-10(8-13)12-5-4-11(9)15-7-3-6-14-2/h4-5,13H,3,6-8H2,1-2H3
2.1.3 InChI Key
OLBSXXZEMRBFIG-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=C(C=CN=C1CO)OCCCOC
2.2 Other Identifiers
2.2.1 UNII
BV1AM69M15
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 118175-10-3

2. (4-(3-methoxypropoxy)-3-methylpyridin-2-yl)methanol

3. 2-hydroxymethyl-3-methyl-4-(3-methoxypropanoxyl)pyridine

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

5. 2-pyridinemethanol, 4-(3-methoxypropoxy)-3-methyl-

6. Bv1am69m15

7. Mfcd08274729

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

9. 2-hydroxymethyl-3-methyl-4-(3-methoxy Propanoxyl)pyridine

10. Unii-bv1am69m15

11. Schembl1308045

12. Dtxsid00152033

13. Bcp14847

14. Zinc38917182

15. Akos015920045

16. Ds-13890

17. Sy021370

18. Cs-0153443

19. Ft-0688909

20. 4-(3-methoxypropoxy)-3-methyl-2-pyridylmethanol

21. A893201

22. J-501317

23. Q27274904

24. (4-(3-methoxy-propoxy)-3-methylpyridin-2-yl)methanol

2.4 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 211.26 g/mol
Molecular Formula C11H17NO3
XLogP30.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass211.12084340 g/mol
Monoisotopic Mass211.12084340 g/mol
Topological Polar Surface Area51.6 Ų
Heavy Atom Count15
Formal Charge0
Complexity166
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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