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2D Structure
Also known as: 98092-92-3, Decapinol, Sre423v9z9, Delmopinol hcl, 2-[3-(4-propylheptyl)morpholin-4-yl]ethanol;hydrochloride, M-1650
Molecular Formula
C16H34ClNO2
Molecular Weight
307.9  g/mol
InChI Key
JFZBMJJFVBMZNC-UHFFFAOYSA-N
FDA UNII
SRE423V9Z9

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-[3-(4-propylheptyl)morpholin-4-yl]ethanol;hydrochloride
2.1.2 InChI
InChI=1S/C16H33NO2.ClH/c1-3-6-15(7-4-2)8-5-9-16-14-19-13-11-17(16)10-12-18;/h15-16,18H,3-14H2,1-2H3;1H
2.1.3 InChI Key
JFZBMJJFVBMZNC-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCCC(CCC)CCCC1COCCN1CCO.Cl
2.2 Other Identifiers
2.2.1 UNII
SRE423V9Z9
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 98092-92-3

2. Decapinol

3. Sre423v9z9

4. Delmopinol Hcl

5. 2-[3-(4-propylheptyl)morpholin-4-yl]ethanol;hydrochloride

6. M-1650

7. Unii-sre423v9z9

8. Delmopinol Hcl [inci]

9. Schembl308441

10. Dtxsid001335757

11. Delmopinol Hydrochloride [mi]

12. Ethanol, 2-(3-(4-propylheptyl)morpholin-4-yl)-

13. 2-(3-(4-propylheptyl)morpholino)ethanol Hydrochloride

14. 2-(3-(4-propylheptyl)morpholino)ethanolhydrochloride

15. Q27289355

16. 4-morpholineethanol, 3-(4-propylheptyl)-, Hydrochloride

17. 2-[3-(4-propylheptyl)morpholin-4-yl]ethan-1-ol Hydrochloride

18. 4-(2-hydroxyethyl)-3-(4-propylheptyl) Morpholine Hydrochloride

19. 4-(2-hydroxyethyl)-3-(4-propylheptyl)morpholine Hydrochloride

20. 4-morpholineethanol, 3-(4-propylheptyl)-, Hydrochloride (1:1)

2.4 Create Date
2006-07-28
3 Chemical and Physical Properties
Molecular Weight 307.9 g/mol
Molecular Formula C16H34ClNO2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count10
Exact Mass307.2278070 g/mol
Monoisotopic Mass307.2278070 g/mol
Topological Polar Surface Area32.7 Ų
Heavy Atom Count20
Formal Charge0
Complexity205
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2