CAS 91342-74-4

LGM Pharma accelerates & optimizes the new product pathway from early development through commercialization.

Virtual Booth

Contact Supplier

Munit offers scalable GMP micronization and particle size engineering to enhance drug solubility, bioavailability, and performance.

CHEMISTRY

Discover Molecule Insights

BUILDING BLOCK

2 Suppliers, 2 End Use APIs, 15 Related Intermediates

2 Suppliers
2 End Use APIs
15 Related Intermediates

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

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 Formula	C₁₀H₂₁NO
Molecular Weight	171.28 g/mol
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	171.162314293 g/mol
Monoisotopic Mass	171.162314293 g/mol
Topological Polar Surface Area	20.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	141
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1