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CAS 91342-74-4 manufacturers and suppliers on PharmaCompass

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CAS 91342-74-4
Also known as: 91342-74-4, 3-[(dimethylamino)methyl]-5-methylhexan-2-one, 3-(n,n-dimethylaminomethyl)-5-methyl-2-hexanone, 3-dimethylaminomethyl-5-methyl-hexan-2-one, 3-((dimethylamino)methyl)-5-methyl-hexan-2-one, 3-[(dimethylamino)methyl]-5-methyl-hexan-2-one
Molecular Formula
C10H21NO
Molecular Weight
171.28  g/mol
InChI Key
QCDJYGZCMGEQNF-UHFFFAOYSA-N

1 2D Structure

CAS 91342-74-4

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-[(dimethylamino)methyl]-5-methylhexan-2-one
2.1.2 InChI
InChI=1S/C10H21NO/c1-8(2)6-10(9(3)12)7-11(4)5/h8,10H,6-7H2,1-5H3
2.1.3 InChI Key
QCDJYGZCMGEQNF-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(C)CC(CN(C)C)C(=O)C
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 91342-74-4

2. 3-[(dimethylamino)methyl]-5-methylhexan-2-one

3. 3-(n,n-dimethylaminomethyl)-5-methyl-2-hexanone

4. 3-dimethylaminomethyl-5-methyl-hexan-2-one

5. 3-((dimethylamino)methyl)-5-methyl-hexan-2-one

6. 3-[(dimethylamino)methyl]-5-methyl-hexan-2-one

7. 3-(dimethylaminomethyl)-5-methyl-2-hexanone

8. 3-dimethylaminomethyl-5-methylhexan-2-one

9. Unii-abf5vhy44n

10. Abf5vhy44n

11. Schembl234393

12. Dtxsid50697484

13. Bcp20525

14. Mfcd22683881

15. As-19972

16. Db-098993

17. Cs-0023418

18. Ft-0774668

19. 3-((dimethylamino)methyl)-5-methyl-2-hexanone

20. 3-[(dimethylamino)methy]-5-methylhexan-2-one

21. F20654

22. 2-hexanone, 3-((dimethylamino)methyl)-5-methyl-

23. A860529

24. 3-((dimethylamino)methyl)-5-methylhexan-2-one;3-(dimethylaminomethyl)-5-methyl-2-hexanone

2.3 Create Date
2011-10-30
3 Chemical and Physical Properties
Molecular Weight 171.28 g/mol
Molecular Formula C10H21NO
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass171.162314293 g/mol
Monoisotopic Mass171.162314293 g/mol
Topological Polar Surface Area20.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity141
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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Alkaloids is a family company established in 1967. Starting with production of natural Caffeine, quite a number of speciality products have been added to our portfolio. The Company is dedicated to identification, development, production & distribution of potent Phytochemicals and Botanical extracts. A number of Phytochemicals manufactured by Alkaloids are used as Active Pharmaceutical Ingredients by major drug formulators the world over. We are internationally recognised as a reliable supplier of high quality Phyto-products. Alkaloids also manufactures custom-made products on exclusive basis for our valued customers.
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Tetrabenazine
Alkaloids is a family company established in 1967. Starting with production of natural Caffeine, quite a...
Alkaloids is a family company established in 1967. Starting with production of natural Caffeine, quite a number of speciality products have been added to our portfolio. The Company is dedicated to identification, development, production & distribution of potent Phytochemicals and Botanical extracts. A number of Phytochemicals manufactured by Alkaloids are used as Active Pharmaceutical Ingredients by major drug formulators the world over. We are internationally recognised as a reliable supplier of high quality Phyto-products. Alkaloids also manufactures custom-made products on exclusive basis for our valued customers.
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