CAS 61990-51-0 manufacturers and suppliers on PharmaCompass

PharmaCompass

Chemistry

Click the arrow to open the dropdown
read-moreClick the button for full data set
Also known as: 61990-51-0, 1-(dimethylamino)propan-2-ol with 4-acetamidobenzoate, Dimepranol acedoben (usan), Dimepranol acedoben [usan], 4-acetamidobenzoic acid;1-(dimethylamino)propan-2-ol, 1v339imq38
Molecular Formula
C14H22N2O4
Molecular Weight
282.34  g/mol
InChI Key
FJFQBKRMSCKTSE-UHFFFAOYSA-N
FDA UNII
1V339IMQ38

CAS 61990-51-0
1 2D Structure

CAS 61990-51-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-acetamidobenzoic acid;1-(dimethylamino)propan-2-ol
2.1.2 InChI
InChI=1S/C9H9NO3.C5H13NO/c1-6(11)10-8-4-2-7(3-5-8)9(12)13;1-5(7)4-6(2)3/h2-5H,1H3,(H,10,11)(H,12,13);5,7H,4H2,1-3H3
2.1.3 InChI Key
FJFQBKRMSCKTSE-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(CN(C)C)O.CC(=O)NC1=CC=C(C=C1)C(=O)O
2.2 Other Identifiers
2.2.1 UNII
1V339IMQ38
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 4-(acetylamino)benzoic Acid-1-(dimethylamino)-2-propanol

2. 4-abdap

3. N,n-dimethylaminoisopropanol-4-acetamidobenzoate

2.3.2 Depositor-Supplied Synonyms

1. 61990-51-0

2. 1-(dimethylamino)propan-2-ol With 4-acetamidobenzoate

3. Dimepranol Acedoben (usan)

4. Dimepranol Acedoben [usan]

5. 4-acetamidobenzoic Acid;1-(dimethylamino)propan-2-ol

6. 1v339imq38

7. 4-(acetylamino)benzoic Acid-1-(dimethylamino)-2-propanol

8. 4-acetamidobenzoic Acid, Compound With 1-(dimethylamino)propan-2-ol

9. 4-acetamidobenzoic Acid, Compound With 1-(dimethylamino)propan-2-ol (1:1)

10. Dimepranol Related Compound (n,n-dimethylamino-2-propanol P-acetamido Benzoic Acid)

11. Schembl668230

12. Unii-1v339imq38

13. 4-acetamidobenzoic Acid,1-(dimethylamino)propan-2-ol

14. Dtxsid90977530

15. Nsc59001

16. Einecs 263-361-5

17. Mfcd00867576

18. Nsc-59001

19. Dimepranol-4-acetamidobenzoate

20. 4-acetamidobenzoic Acid, Compound With 1-(dimethylamino)propan-2-ol (1

21. Akos030228580

22. Ds-9456

23. Cs-0186651

24. D03836

25. N,n-dimethylaminoisopropanol-4-acetamidobenzoate

26. A868585

27. Q27252931

28. (+-)-1-(dimethylamino)-2-propanol, P-acetamidobenzoate (salt)

29. (+/-)-1-(dimethylamino)-2-propanol, P-acetamidobenzoate (salt)

30. 2-propanol, 1-(dimethylamino)-, (+-)-, 4-(acetylamino)benzoate (salt)

31. 2-propanol, 1-(dimethylamino)-, (+/-)-, 4-(acetylamino)benzoate (salt)

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 282.34 g/mol
Molecular Formula C14H22N2O4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass282.15795719 g/mol
Monoisotopic Mass282.15795719 g/mol
Topological Polar Surface Area89.9 Ų
Heavy Atom Count20
Formal Charge0
Complexity252
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

BUILDING BLOCK

Upload your portfolio for free, ask us
Ask Us for Pharmaceutical Supplier and Partner
Ask Us, Find A Supplier / Partner
No Commissions, No Strings Attached, Get Connected for FREE

What are you looking for?

How can we help you?

The request can't be empty

Please read our Privacy Policy carefully

You must agree to the privacy policy

The name can't be empty
The company can't be empty.
The email can't be empty Please enter a valid email.
The mobile can't be empty